piperidine-2-carboxamide hydrochloride

• ChemBase ID: 49266
• Molecular Formular: C6H13ClN2O
• Molecular Mass: 164.63322
• Monoisotopic Mass: 164.07164073
• SMILES: C(=O)(C1NCCCC1)N.Cl
• Canonical SMILES: NC(=O)C1CCCCN1.Cl
• InChI: InChI=1S/C6H12N2O.ClH/c7-6(9)5-3-1-2-4-8-5;/h5,8H,1-4H2,(H2,7,9);1H
• InChIKey: MSDJHYMGDCMMSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidine-2-carboxamide hydrochloride
• IUPAC Traditional name: piperidine-2-carboxamide hydrochloride
• Synonyms: piperidine-2-carboxamide hydrochloride; 2-Piperidinecarboxamide hydrochloride

Database IDs

• MDL Number: MFCD06671728
• PubChem SID: 162054029
• PubChem CID: 16248268

CALCULATED PROPERTIES

• Acid pKa: 16.409124
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.4596334
• LogD (pH = 7.4): -1.9359258
• Log P: -0.45951536
• Molar Refractivity: 34.4875 cm^3
• Polarizability: 13.794192 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 249 - 251°C
• Hydrophobicity(logP): -0.299

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: HCl