ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate

• ChemBase ID: 643636
• Molecular Formular: C23H26FNO3
• Molecular Mass: 383.4558432
• Monoisotopic Mass: 383.18967192
• SMILES: C(=O)(N1CCC(C(=O)OCC)CC1)CC(c1c(F)cccc1)c1ccccc1
• Canonical SMILES: CCOC(=O)C1CCN(CC1)C(=O)CC(c1ccccc1F)c1ccccc1
• InChI: InChI=1S/C23H26FNO3/c1-2-28-23(27)18-12-14-25(15-13-18)22(26)16-20(17-8-4-3-5-9-17)19-10-6-7-11-21(19)24/h3-11,18,20H,2,12-16H2,1H3
• InChIKey: HYOOCJOFVOFAMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate
• IUPAC Traditional name: ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate
• Synonyms: ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]-4-piperidinecarboxylate

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 3.05
• LOG S: -5.82
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 0

JChem

• Molar Refractivity: 106.3418 cm^3
• Polarizability: 41.07589 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8353097
• LogD (pH = 7.4): 3.83531
• Log P: 3.83531