N-methylpiperidine-4-carboxamide hydrochloride

• ChemBase ID: 49227
• Molecular Formular: C7H15ClN2O
• Molecular Mass: 178.6598
• Monoisotopic Mass: 178.08729079
• SMILES: C(=O)(C1CCNCC1)NC.Cl
• Canonical SMILES: CNC(=O)C1CCNCC1.Cl
• InChI: InChI=1S/C7H14N2O.ClH/c1-8-7(10)6-2-4-9-5-3-6;/h6,9H,2-5H2,1H3,(H,8,10);1H
• InChIKey: FROPXJWLCJOZJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylpiperidine-4-carboxamide hydrochloride
• IUPAC Traditional name: N-methylpiperidine-4-carboxamide hydrochloride
• Synonyms: N-methylpiperidine-4-carboxamide hydrochloride; N-Methyl-4-piperidinecarboxamide hydrochloride

Database IDs

• CAS Number: 1903-75-9
• MDL Number: MFCD11615742
• PubChem SID: 162053990
• PubChem CID: 12410237

CALCULATED PROPERTIES

• Acid pKa: 16.286022
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.929006
• LogD (pH = 7.4): -3.3445785
• Log P: -0.7030344
• Molar Refractivity: 39.7942 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.466

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%