1-Piperidinocyclohexanecarbonitrile
PubChem CID
62529
Structure
Molecular Formula
Synonyms
- 3867-15-0
- 1-PIPERIDINOCYCLOHEXANECARBONITRILE
- Cyclohexanecarbonitrile, 1-(1-piperidinyl)-
- 1-piperidin-1-ylcyclohexanecarbonitrile
- Piperidinocyclohexanecarbonitrile
Molecular Weight
192.30 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2025-01-18
Description
1-piperidinocyclohexanecarbonitrile is a DEA Schedule II controlled substance. Substances in the DEA Schedule II have a high potential for abuse which may lead to severe psychological or physical dependence. It is a Immediate precursors substance.
Chemical Structure Depiction
1-piperidin-1-ylcyclohexane-1-carbonitrile
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C12H20N2/c13-11-12(7-3-1-4-8-12)14-9-5-2-6-10-14/h1-10H2
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
WWSAYKJWUZJLRT-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1CCC(CC1)(C#N)N2CCCCC2
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C12H20N2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
8603 (DEA schedule II controlled substance)
1-piperidinocyclohexanecarbonitrile
- 3867-15-0
- 1-PIPERIDINOCYCLOHEXANECARBONITRILE
- Cyclohexanecarbonitrile, 1-(1-piperidinyl)-
- 1-piperidin-1-ylcyclohexanecarbonitrile
- Piperidinocyclohexanecarbonitrile
- Cyclohexanecarbonitrile, 1-piperidino-
- 1-(1-Cyanocyclohexyl)piperidine
- 1-(piperidin-1-yl)cyclohexane-1-carbonitrile
- 1-piperidin-1-ylcyclohexane-1-carbonitrile
- 1-(1-Piperidinyl)cyclohexanecarbonitrile
- 03ZI7ZZW5Q
- DTXSID1046184
- NSC-97072
- NCGC00160487-01
- Enamine_001251
- NSC 97072
- UNII-03ZI7ZZW5Q
- BRN 0134530
- 1-(piperidin-1-yl)cyclohexanecarbonitrile
- DEA No. 8603
- MFCD00179761
- 5-20-03-00060 (Beilstein Handbook Reference)
- SCHEMBL1742367
- DTXCID9026184
- WWSAYKJWUZJLRT-UHFFFAOYSA-
- HMS1397I19
- WLN: T6NTJ A- AL6TJ ACN
- ?1-Piperidinocyclohexanecarbonitrile
- ALBB-004364
- NSC97072
- Tox21_111849
- STK500616
- 1-Piperidine Cyclohexane Carbonitrile
- AKOS000638043
- DB01539
- 1-piperidin-1-yl-cyclohexanecarbonitrile
- LS-01648
- CAS-3867-15-0
- 1-(1-Piperidinyl)cyclohexanecarbonitrile #
- NS00067946
- Q27092788
- F0896-0065
- 1-PIPERIDINOCYCLOHEXANECARBONITRILE ( PRECURSORS TO PHENCYCLIDINE (PCP))
- InChI=1/C12H20N2/c13-11-12(7-3-1-4-8-12)14-9-5-2-6-10-14/h1-10H2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
192.30 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
2.5
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
192.162648646 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
192.162648646 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
27 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
14
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
226
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Pharmaceuticals -> Listed in ZINC15
S55 | ZINC15PHARMA | Pharmaceuticals from ZINC15 | DOI:10.5281/zenodo.3247749
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
S58 | PSYCHOCANNAB | Synthetic Cannabinoids and Psychoactive Compounds | DOI:10.5281/zenodo.3247723
1D NMR Spectra
NIST Number
335385
Library
Main library
Total Peaks
74
m/z Top Peak
149
m/z 2nd Highest
150
m/z 3rd Highest
41
Thumbnail
NIST Number
248075
Library
Replicate library
Total Peaks
82
m/z Top Peak
149
m/z 2nd Highest
150
m/z 3rd Highest
122
Thumbnail
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Substance
1-piperidinocyclohexanecarbonitrile
Synonym(s)
PCC
DEA Controlled Substances Code Number
8603
Controlled Substances Act Schedule
Schedule II - Substances in the DEA Schedule II have a high potential for abuse which may lead to severe psychological or physical dependence.
Class
Immediate precursors
DEA Controlled Substances
DEA schedule II controlled substance
21 CFR Sections 1308.11-1308.15 https://www.ecfr.gov/current/title-21/chapter-II/part-1308
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=WWSAYKJWUZJLRT-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/1-Piperidinocyclohexanecarbonitrilehttps://commonchemistry.cas.org/detail?cas_rn=3867-15-0
- ChemIDplus1-Piperidinocyclohexanecarbonitrilehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0003867150ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DrugBankLICENSECreative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode)https://www.drugbank.ca/legal/terms_of_use1-Piperidinocyclohexanecarbonitrilehttps://www.drugbank.ca/drugs/DB01539
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse1-PIPERIDINOCYCLOHEXANECARBONITRILEhttps://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=97072
- EPA DSSTox1-Piperidinocyclohexanecarbonitrilehttps://comptox.epa.gov/dashboard/DTXSID1046184CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking1-PIPERIDINOCYCLOHEXANECARBONITRILEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/03ZI7ZZW5Q
- Drug Enforcement Administration (DEA)LICENSEUnless otherwise indicated, information on Department of Justice websites is in the public domain and may be copied and distributed without permission. Citation of the Department of Justice as source of the information is appreciated, as appropriate.https://www.justice.gov/legalpolicies1-piperidinocyclohexanecarbonitrilehttps://www.deadiversion.usdoj.gov/schedules/DEA drug and chemical classificationhttps://www.dea.gov/drug-information/drug-scheduling
- Japan Chemical Substance Dictionary (Nikkaji)
- Metabolomics Workbench1-Piperidinocyclohexanecarbonitrilehttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=146187
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawCyclohexanecarbonitrile, 1-(1-piperidinyl)-http://www.nist.gov/srd/nist1a.cfm
- SpectraBase1-Piperidinocyclohexanecarbonitrilehttps://spectrabase.com/spectrum/JJZ4DcHQ2wi1-PIPERIDINOCYCLOHEXANECARBONITRILEhttps://spectrabase.com/spectrum/7GUaWavzW8F1-(1-Piperidinyl)-cyclohexanecarbonitrilehttps://spectrabase.com/spectrum/63zbYzkipUL1-piperidinocyclohexanecarbonitrilehttps://spectrabase.com/spectrum/2SjkWcx2Ne71-PIPERIDINOCYCLOHEXANECARBONITRILEhttps://spectrabase.com/spectrum/KOazmI5nqyz
- NMRShiftDB
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/1-PiperidinocyclohexanecarbonitrileNORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- Springer Nature
- Wikidata1-piperidinocyclohexanecarbonitrilehttps://www.wikidata.org/wiki/Q27092788
- Wiley
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html1-piperidinocyclohexanecarbonitrilehttps://www.ncbi.nlm.nih.gov/mesh/67011993
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388424799https://pubchem.ncbi.nlm.nih.gov/substance/388424799
- NCBI
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