N-cyclohexyl-N-methylpiperidine-3-carboxamide hydrochloride

• ChemBase ID: 48977
• Molecular Formular: C13H25ClN2O
• Molecular Mass: 260.8034
• Monoisotopic Mass: 260.16554111
• SMILES: C(=O)(N(C1CCCCC1)C)C1CNCCC1.Cl
• Canonical SMILES: CN(C(=O)C1CCCNC1)C1CCCCC1.Cl
• InChI: InChI=1S/C13H24N2O.ClH/c1-15(12-7-3-2-4-8-12)13(16)11-6-5-9-14-10-11;/h11-12,14H,2-10H2,1H3;1H
• InChIKey: YRDLIUPOZSCRAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-N-methylpiperidine-3-carboxamide hydrochloride
• IUPAC Traditional name: N-cyclohexyl-N-methylpiperidine-3-carboxamide hydrochloride
• Synonyms: N-Cyclohexyl-N-methyl-3-piperidinecarboxamide hydrochloride

Database IDs

• MDL Number: MFCD13562211
• PubChem SID: 162053740
• PubChem CID: 56831924

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7101772
• LogD (pH = 7.4): -0.6917446
• Log P: 1.4758197
• Molar Refractivity: 65.5511 cm^3
• Polarizability: 25.950315 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false