(2S)-piperidine-2-carboxylic acid hydrochloride

• ChemBase ID: 796703
• Molecular Formular: C6H12ClNO2
• Molecular Mass: 165.61798
• Monoisotopic Mass: 165.05565631
• SMILES: Cl.C1CCN[C@@H](C1)C(=O)O
• Canonical SMILES: OC(=O)[C@@H]1CCCCN1.Cl
• InChI: InChI=1S/C6H11NO2.ClH/c8-6(9)5-3-1-2-4-7-5;/h5,7H,1-4H2,(H,8,9);1H/t5-;/m0./s1
• InChIKey: AUGDEGXARBUSFU-JEDNCBNOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-piperidine-2-carboxylic acid hydrochloride
• IUPAC Traditional name: L-pipecolic acid hydrochloride
• Synonyms: (S)-Piperidine-2-carboxylic acid hydrochloride

Database IDs

• CAS Number: 2133-33-7

CALCULATED PROPERTIES

• Acid pKa: 2.0631034
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.124041
• LogD (pH = 7.4): -2.1243129
• Log P: -2.1239622
• Molar Refractivity: 32.6653 cm^3
• Polarizability: 13.120767 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%