piperidine-2-carboxamide

• ChemBase ID: 40514
• Molecular Formular: C6H12N2O
• Molecular Mass: 128.17228
• Monoisotopic Mass: 128.09496301
• SMILES: C(=O)(C1NCCCC1)N
• Canonical SMILES: NC(=O)C1CCCCN1
• InChI: InChI=1S/C6H12N2O/c7-6(9)5-3-1-2-4-8-5/h5,8H,1-4H2,(H2,7,9)
• InChIKey: XIMBESZRBTVIOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 19889-77-1
• MDL Number: MFCD05663784
• PubChem SID: 162045277
• PubChem CID: 140623

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: 138 - 140 °C; 138-140°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 97%; 98%