(S)-1-tert-Butyl 2-methyl piperazine-1,2-dicarboxylate hydrochloride
PubChem CID
45072432
Structure
Molecular Formula
Synonyms
- 1251903-93-1
- (S)-1-tert-Butyl 2-methyl piperazine-1,2-dicarboxylate hydrochloride
- (S)-1-N-BOC-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER-HCl
- 1,2-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester, hydrochloride (1:1), (2S)-
- (S)-1-TERT-BUTYL 2-METHYL PIPERAZINE-1,2-DICARBOXYLATE HCL
Molecular Weight
280.75 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Component Compounds
Dates
- Create:2010-03-29
- Modify:2025-01-04
Chemical Structure Depiction
3D Conformer of Parent
1-O-tert-butyl 2-O-methyl (2S)-piperazine-1,2-dicarboxylate;hydrochloride
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C11H20N2O4.ClH/c1-11(2,3)17-10(15)13-6-5-12-7-8(13)9(14)16-4;/h8,12H,5-7H2,1-4H3;1H/t8-;/m0./s1
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
MESGHYLTRXYTHM-QRPNPIFTSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CC(C)(C)OC(=O)N1CCNC[C@H]1C(=O)OC.Cl
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H21ClN2O4
Computed by PubChem 2.2 (PubChem release 2024.11.20)
1251903-93-1
- 1251903-93-1
- (S)-1-tert-Butyl 2-methyl piperazine-1,2-dicarboxylate hydrochloride
- (S)-1-N-BOC-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER-HCl
- 1,2-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester, hydrochloride (1:1), (2S)-
- (S)-1-TERT-BUTYL 2-METHYL PIPERAZINE-1,2-DICARBOXYLATE HCL
- 1-O-tert-butyl 2-O-methyl (2S)-piperazine-1,2-dicarboxylate;hydrochloride
- MFCD06200663
- DTXSID50662551
- (S)-1-tert-Butyl2-methylpiperazine-1,2-dicarboxylatehydrochloride
- BAC90393
- (s)-1-n-boc-piperazine-2-carboxylic acid methyl ester hydrochloride
- AKOS015923272
- (S)-N1-T-BUTYLOXYCARBONYL-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE
- DS-15945
- DB-353642
- F14595
- 1-tert-Butyl 2-methyl (2S)-piperazine-1,2-dicarboxylate--hydrogen chloride (1/1)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
280.75 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
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
280.1189848 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
280.1189848 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
67.9Ų
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
298
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
1
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 Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- EPA DSSTox1-tert-Butyl 2-methyl (2S)-piperazine-1,2-dicarboxylate--hydrogen chloride (1/1)https://comptox.epa.gov/dashboard/DTXSID50662551
- Wikidata1-tert-Butyl 2-methyl (2S)-piperazine-1,2-dicarboxylate--hydrogen chloride (1/1)https://www.wikidata.org/wiki/Q82580071
- PubChem
CONTENTS