piperidine-3-carboxylic acid hydrochloride

• ChemBase ID: 293502
• Molecular Formular: C6H12ClNO2
• Molecular Mass: 165.61798
• Monoisotopic Mass: 165.05565631
• SMILES: O=C(C1CNCCC1)O.Cl
• Canonical SMILES: OC(=O)C1CCCNC1.Cl
• InChI: InChI=1S/C6H11NO2.ClH/c8-6(9)5-2-1-3-7-4-5;/h5,7H,1-4H2,(H,8,9);1H
• InChIKey: LRZWUDOLANRDSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidine-3-carboxylic acid hydrochloride
• IUPAC Traditional name: nipecotic acid hydrochloride
• Synonyms: Piperidine-3-carboxylic acid hydrochloride

Database IDs

• CAS Number: 6034-80-6
• PubChem SID: 180679033
• PubChem CID: 12313377

CALCULATED PROPERTIES

• LogD (pH = 7.4): -2.435833
• Log P: -2.4356241
• Molar Refractivity: 32.9213 cm^3
• Polarizability: 13.120767 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 3.7939725
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.442196

PROPERTIES

Product Information

• Purity: 95+%