N-(1-benzylpiperidin-4-yl)cyclopropanecarboxamide

• ChemBase ID: 253196
• Molecular Formular: C16H22N2O
• Molecular Mass: 258.35868
• Monoisotopic Mass: 258.17321333
• SMILES: C(=O)(C1CC1)NC1CCN(Cc2ccccc2)CC1
• Canonical SMILES: O=C(C1CC1)NC1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C16H22N2O/c19-16(14-6-7-14)17-15-8-10-18(11-9-15)12-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,17,19)
• InChIKey: GAQOZOGWSOAARH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-benzylpiperidin-4-yl)cyclopropanecarboxamide
• IUPAC Traditional name: N-(1-benzylpiperidin-4-yl)cyclopropanecarboxamide
• Synonyms: N-(1-benzylpiperidin-4-yl)cyclopropanecarboxamide

Database IDs

• MDL Number: MFCD00247522
• PubChem SID: 164309106
• PubChem CID: 17250237

CALCULATED PROPERTIES

• Acid pKa: 15.915183
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.250322
• LogD (pH = 7.4): 0.4741526
• Log P: 1.7244632
• Molar Refractivity: 76.8255 cm^3
• Polarizability: 30.027014 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.122

Product Information

• Purity: 95%