N-cyclohexyl-N-ethylpiperidine-3-carboxamide hydrochloride

• ChemBase ID: 48980
• Molecular Formular: C14H27ClN2O
• Molecular Mass: 274.82998
• Monoisotopic Mass: 274.18119117
• SMILES: C(=O)(N(C1CCCCC1)CC)C1CNCCC1.Cl
• Canonical SMILES: CCN(C(=O)C1CCCNC1)C1CCCCC1.Cl
• InChI: InChI=1S/C14H26N2O.ClH/c1-2-16(13-8-4-3-5-9-13)14(17)12-7-6-10-15-11-12;/h12-13,15H,2-11H2,1H3;1H
• InChIKey: FCGJXLHFYBBFRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-N-ethylpiperidine-3-carboxamide hydrochloride
• IUPAC Traditional name: N-cyclohexyl-N-ethylpiperidine-3-carboxamide hydrochloride
• Synonyms: N-Cyclohexyl-N-ethyl-3-piperidinecarboxamide hydrochloride

Database IDs

• MDL Number: MFCD13562214
• PubChem SID: 162053743
• PubChem CID: 56831927

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3533688
• LogD (pH = 7.4): -0.33492988
• Log P: 1.8326277
• Molar Refractivity: 70.2997 cm^3
• Polarizability: 27.793371 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