4-aminopiperidine-1-carboxamide

• ChemBase ID: 252713
• Molecular Formular: C6H13N3O
• Molecular Mass: 143.18692
• Monoisotopic Mass: 143.10586205
• SMILES: C(=O)(N1CCC(CC1)N)N
• Canonical SMILES: NC1CCN(CC1)C(=O)N
• InChI: InChI=1S/C6H13N3O/c7-5-1-3-9(4-2-5)6(8)10/h5H,1-4,7H2,(H2,8,10)
• InChIKey: AHZIDBXGSJQKLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-aminopiperidine-1-carboxamide
• IUPAC Traditional name: 4-aminopiperidine-1-carboxamide
• Synonyms: 4-aminopiperidine-1-carboxamide

Database IDs

• MDL Number: MFCD13558483
• PubChem SID: 164308623
• PubChem CID: 445261

CALCULATED PROPERTIES

• Acid pKa: 16.197273
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.723129
• LogD (pH = 7.4): -4.1541595
• Log P: -1.7053039
• Molar Refractivity: 38.3178 cm^3
• Polarizability: 14.944566 Å^3
• Polar Surface Area: 72.35 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64 - 66°C
• Hydrophobicity(logP): -2.782

Product Information

• Purity: 95%