(1-{[3-(3-fluorophenyl)phenyl]methyl}piperidin-4-yl)(1-methyl-1H-imidazol-2-yl)methanol

• ChemBase ID: 634523
• Molecular Formular: C23H26FN3O
• Molecular Mass: 379.4704432
• Monoisotopic Mass: 379.20599069
• SMILES: c1(n(ccn1)C)C(C1CCN(Cc2cc(c3cc(F)ccc3)ccc2)CC1)O
• Canonical SMILES: Fc1cccc(c1)c1cccc(c1)CN1CCC(CC1)C(c1nccn1C)O
• InChI: InChI=1S/C23H26FN3O/c1-26-13-10-25-23(26)22(28)18-8-11-27(12-9-18)16-17-4-2-5-19(14-17)20-6-3-7-21(24)15-20/h2-7,10,13-15,18,22,28H,8-9,11-12,16H2,1H3
• InChIKey: NDDYQLLHERQXBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-{[3-(3-fluorophenyl)phenyl]methyl}piperidin-4-yl)(1-methyl-1H-imidazol-2-yl)methanol
• IUPAC Traditional name: (1-{[3-(3-fluorophenyl)phenyl]methyl}piperidin-4-yl)(1-methylimidazol-2-yl)methanol
• Synonyms: {1-[(3'-fluoro-3-biphenylyl)methyl]-4-piperidinyl}(1-methyl-1H-imidazol-2-yl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.328719
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.26977226
• LogD (pH = 7.4): 2.2093186
• Log P: 3.5980322
• Molar Refractivity: 110.032 cm^3
• Polarizability: 43.406193 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.23
• LOG S: -4.86
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 5