1-(6-Chloro-5-(trifluoromethyl)pyridin-2-YL)piperazine hydrochloride
PubChem CID
9796407
Structure
Molecular Formula
Synonyms
- 210821-63-9
- Org 12962 hydrochloride
- Org 12962 HCl
- 1-(6-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL)PIPERAZINE HYDROCHLORIDE
- Org-12962 hydrochloride
Molecular Weight
302.12 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Parent Compound
Component Compounds
Dates
- Create:2006-10-25
- Modify:2025-01-04
Chemical Structure Depiction
3D Conformer of Parent
1-[6-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine;hydrochloride
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C10H11ClF3N3.ClH/c11-9-7(10(12,13)14)1-2-8(16-9)17-5-3-15-4-6-17;/h1-2,15H,3-6H2;1H
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
FVDILXYXZAAJOS-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C1CN(CCN1)C2=NC(=C(C=C2)C(F)(F)F)Cl.Cl
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C10H12Cl2F3N3
Computed by PubChem 2.2 (PubChem release 2024.11.20)
- 210821-63-9
- Org 12962 hydrochloride
- Org 12962 HCl
- 1-(6-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL)PIPERAZINE HYDROCHLORIDE
- Org-12962 hydrochloride
- 1-[6-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine;hydrochloride
- Org-12962 (hydrochloride)
- Ro44-6956
- Org12962 hydrochloride
- Piperazine, 1-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-, hydrochloride (1:1)
- 1-[6-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine Hydrochloride
- Org12962 ydrochloride
- Org12962HCl
- PZ5RGN8MR8
- ORG 12962 (hydrochloride)
- SCHEMBL5585896
- CHEMBL2074611
- DTXSID60430869
- FVDILXYXZAAJOS-UHFFFAOYSA-N
- AKOS015892065
- Ro-44-6956
- HY-21994
- DB-013731
- CS-0024035
- J-013826
- 1-(6-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL)PIPERAZINE HCL
- 1-[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine hydrochloride (1:1)
- Piperazine, 1-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-, monohydrochloride
- Piperazine,1-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-,hydrochloride(1:1)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
302.12 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
301.0360373 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
301.0360373 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
28.2 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
18
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
256
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=FVDILXYXZAAJOS-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-[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine hydrochloride (1:1)https://commonchemistry.cas.org/detail?cas_rn=210821-63-9
- EPA DSSToxOrg 12962 HClhttps://comptox.epa.gov/dashboard/DTXSID60430869CompTox 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#linkingOrg-12962 hydrochloridehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/PZ5RGN8MR8
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- PubChemPFAS and Fluorinated Compounds in PubChemhttps://gitlab.com/uniluxembourg/lcsb/eci/pubchem-docs/-/raw/main/pfas-tree/PFAS_Tree.pdf?inline=false
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 404182344https://pubchem.ncbi.nlm.nih.gov/substance/404182344
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