1-[(1-cyclopentyl-1H-imidazol-5-yl)methyl]-2-(4-fluorophenyl)piperidine

• ChemBase ID: 557487
• Molecular Formular: C20H26FN3
• Molecular Mass: 327.4389432
• Monoisotopic Mass: 327.21107607
• SMILES: c1(n(cnc1)C1CCCC1)CN1C(c2ccc(cc2)F)CCCC1
• Canonical SMILES: Fc1ccc(cc1)C1CCCCN1Cc1cncn1C1CCCC1
• InChI: InChI=1S/C20H26FN3/c21-17-10-8-16(9-11-17)20-7-3-4-12-23(20)14-19-13-22-15-24(19)18-5-1-2-6-18/h8-11,13,15,18,20H,1-7,12,14H2
• InChIKey: GEBNIFPBKLSZHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-cyclopentyl-1H-imidazol-5-yl)methyl]-2-(4-fluorophenyl)piperidine
• IUPAC Traditional name: 1-[(3-cyclopentylimidazol-4-yl)methyl]-2-(4-fluorophenyl)piperidine
• Synonyms: 1-[(1-cyclopentyl-1H-imidazol-5-yl)methyl]-2-(4-fluorophenyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2125952
• LogD (pH = 7.4): 3.6992753
• Log P: 4.07186
• Molar Refractivity: 95.3841 cm^3
• Polarizability: 36.62393 Å^3
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.31
• LOG S: -3.41
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 4