N-benzyl-N-methylpiperidine-2-carboxamide hydrochloride

• ChemBase ID: 48950
• Molecular Formular: C14H21ClN2O
• Molecular Mass: 268.78234
• Monoisotopic Mass: 268.13424098
• SMILES: C(=O)(N(Cc1ccccc1)C)C1NCCCC1.Cl
• Canonical SMILES: O=C(N(Cc1ccccc1)C)C1CCCCN1.Cl
• InChI: InChI=1S/C14H20N2O.ClH/c1-16(11-12-7-3-2-4-8-12)14(17)13-9-5-6-10-15-13;/h2-4,7-8,13,15H,5-6,9-11H2,1H3;1H
• InChIKey: HWXYXIQQTFFKEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methylpiperidine-2-carboxamide hydrochloride
• IUPAC Traditional name: N-benzyl-N-methylpiperidine-2-carboxamide hydrochloride
• Synonyms: N-Benzyl-N-methyl-2-piperidinecarboxamide hydrochloride

Database IDs

• MDL Number: MFCD13562191
• PubChem SID: 162053713
• PubChem CID: 56831911

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2977145
• LogD (pH = 7.4): 0.21348433
• Log P: 1.7123098
• Molar Refractivity: 68.8935 cm^3
• Polarizability: 27.072113 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false