piperidine-4-carboxylic acid hydrochloride

• ChemBase ID: 70277
• Molecular Formular: C6H12ClNO2
• Molecular Mass: 165.61798
• Monoisotopic Mass: 165.05565631
• SMILES: C(=O)(C1CCNCC1)O.Cl
• Canonical SMILES: OC(=O)C1CCNCC1.Cl
• InChI: InChI=1S/C6H11NO2.ClH/c8-6(9)5-1-3-7-4-2-5;/h5,7H,1-4H2,(H,8,9);1H
• InChIKey: NVUYWKBRSRPYMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidine-4-carboxylic acid hydrochloride
• IUPAC Traditional name: isonipecotic acid hydrochloride
• Synonyms: Piperidine-4-carboxylic acid hydrochloride 97%; Piperidine-4-carboxylic acid hydrochloride; Isonipecotic acid hydrochloride

Database IDs

• CAS Number: 5984-56-5
• MDL Number: MFCD00044736
• PubChem SID: 162036000
• PubChem CID: 22298

CALCULATED PROPERTIES

• Acid pKa: 4.3281593
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.6145089
• LogD (pH = 7.4): -2.5918117
• Log P: -2.5920515
• Molar Refractivity: 33.0753 cm^3
• Polarizability: 13.120767 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%