N-benzyl-N-cyclopropylpiperidine-4-carboxamide hydrochloride

• ChemBase ID: 278568
• Molecular Formular: C16H23ClN2O
• Molecular Mass: 294.81962
• Monoisotopic Mass: 294.14989105
• SMILES: N(C(=O)C1CCNCC1)(C1CC1)Cc1ccccc1.Cl
• Canonical SMILES: O=C(N(C1CC1)Cc1ccccc1)C1CCNCC1.Cl
• InChI: InChI=1S/C16H22N2O.ClH/c19-16(14-8-10-17-11-9-14)18(15-6-7-15)12-13-4-2-1-3-5-13;/h1-5,14-15,17H,6-12H2;1H
• InChIKey: HZOCIFIGFGVDDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-cyclopropylpiperidine-4-carboxamide hydrochloride
• IUPAC Traditional name: N-benzyl-N-cyclopropylpiperidine-4-carboxamide hydrochloride
• Synonyms: N-benzyl-N-cyclopropylpiperidine-4-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD19982599
• PubChem SID: 164334478
• PubChem CID: 53535660

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5152926
• LogD (pH = 7.4): -0.930856
• Log P: 1.7106793
• Molar Refractivity: 76.5147 cm^3
• Polarizability: 30.026943 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 229 - 231°C
• Hydrophobicity(logP): 1.162

Product Information

• Purity: 95%