N-benzyl-N-methylpiperidine-4-carboxamide hydrochloride

• ChemBase ID: 49006
• Molecular Formular: C14H21ClN2O
• Molecular Mass: 268.78234
• Monoisotopic Mass: 268.13424098
• SMILES: C(=O)(N(Cc1ccccc1)C)C1CCNCC1.Cl
• Canonical SMILES: CN(C(=O)C1CCNCC1)Cc1ccccc1.Cl
• InChI: InChI=1S/C14H20N2O.ClH/c1-16(11-12-5-3-2-4-6-12)14(17)13-7-9-15-10-8-13;/h2-6,13,15H,7-11H2,1H3;1H
• InChIKey: WUXQJUHWONLNIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methylpiperidine-4-carboxamide hydrochloride
• IUPAC Traditional name: N-benzyl-N-methylpiperidine-4-carboxamide hydrochloride
• Synonyms: N-Benzyl-N-methyl-4-piperidinecarboxamide hydrochloride

Database IDs

• MDL Number: MFCD09870095
• PubChem SID: 162053769
• PubChem CID: 22591432

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9808563
• LogD (pH = 7.4): -1.3964207
• Log P: 1.2451148
• Molar Refractivity: 69.3035 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