(1-{1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl}piperidin-3-yl)methanol

• ChemBase ID: 572962
• Molecular Formular: C23H29FN2O
• Molecular Mass: 368.4875632
• Monoisotopic Mass: 368.22639178
• SMILES: N1(C2CCN(c3ccc(c4cc(F)ccc4)cc3)CC2)CC(CO)CCC1
• Canonical SMILES: OCC1CCCN(C1)C1CCN(CC1)c1ccc(cc1)c1cccc(c1)F
• InChI: InChI=1S/C23H29FN2O/c24-21-5-1-4-20(15-21)19-6-8-22(9-7-19)25-13-10-23(11-14-25)26-12-2-3-18(16-26)17-27/h1,4-9,15,18,23,27H,2-3,10-14,16-17H2
• InChIKey: DDFDLRFHPWWHSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-{1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl}piperidin-3-yl)methanol
• IUPAC Traditional name: (1-{1-[4-(3-fluorophenyl)phenyl]piperidin-4-yl}piperidin-3-yl)methanol
• Synonyms: [1'-(3'-fluorobiphenyl-4-yl)-1,4'-bipiperidin-3-yl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.43145
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.28209487
• LogD (pH = 7.4): 1.3819382
• Log P: 3.7182403
• Molar Refractivity: 109.7338 cm^3
• Polarizability: 43.026608 Å^3
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.9
• LOG S: -4.21
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 4