1-cyclopropanecarbonyl-3-(2-phenylethyl)piperidine

• ChemBase ID: 339602
• Molecular Formular: C17H23NO
• Molecular Mass: 257.37062
• Monoisotopic Mass: 257.17796436
• SMILES: N1(C(=O)C2CC2)CC(CCc2ccccc2)CCC1
• Canonical SMILES: O=C(N1CCCC(C1)CCc1ccccc1)C1CC1
• InChI: InChI=1S/C17H23NO/c19-17(16-10-11-16)18-12-4-7-15(13-18)9-8-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2
• InChIKey: UFYQCQRQJQKJJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropanecarbonyl-3-(2-phenylethyl)piperidine
• IUPAC Traditional name: 1-cyclopropanecarbonyl-3-(2-phenylethyl)piperidine
• Synonyms: 1-(cyclopropylcarbonyl)-3-(2-phenylethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.43514
• LogD (pH = 7.4): 3.4351404
• Log P: 3.4351404
• Molar Refractivity: 77.5691 cm^3
• Polarizability: 30.273073 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 2.8
• LOG S: -3.77
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4