ethyl 3-benzyl-1-cyclopentylpiperidine-3-carboxylate

• ChemBase ID: 497543
• Molecular Formular: C20H29NO2
• Molecular Mass: 315.44976
• Monoisotopic Mass: 315.21982917
• SMILES: C1(C(=O)OCC)(CN(C2CCCC2)CCC1)Cc1ccccc1
• Canonical SMILES: CCOC(=O)C1(CCCN(C1)C1CCCC1)Cc1ccccc1
• InChI: InChI=1S/C20H29NO2/c1-2-23-19(22)20(15-17-9-4-3-5-10-17)13-8-14-21(16-20)18-11-6-7-12-18/h3-5,9-10,18H,2,6-8,11-16H2,1H3
• InChIKey: ZRLVGCJPINNMJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-benzyl-1-cyclopentylpiperidine-3-carboxylate
• IUPAC Traditional name: ethyl 3-benzyl-1-cyclopentylpiperidine-3-carboxylate
• Synonyms: ethyl 3-benzyl-1-cyclopentyl-3-piperidinecarboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.96369016
• LogD (pH = 7.4): 1.9704435
• Log P: 4.4109783
• Molar Refractivity: 93.3439 cm^3
• Polarizability: 36.955597 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.95
• LOG S: -3.02
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4