[1-(1H-imidazol-4-ylmethyl)piperidin-4-yl]diphenylmethanol

• ChemBase ID: 737392
• Molecular Formular: C22H25N3O
• Molecular Mass: 347.4534
• Monoisotopic Mass: 347.19976244
• SMILES: n1c(c[nH]c1)CN1CCC(C(c2ccccc2)(c2ccccc2)O)CC1
• Canonical SMILES: OC(c1ccccc1)(c1ccccc1)C1CCN(CC1)Cc1c[nH]cn1
• InChI: InChI=1S/C22H25N3O/c26-22(18-7-3-1-4-8-18,19-9-5-2-6-10-19)20-11-13-25(14-12-20)16-21-15-23-17-24-21/h1-10,15,17,20,26H,11-14,16H2,(H,23,24)
• InChIKey: VAMXLZHMUGUXNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(1H-imidazol-4-ylmethyl)piperidin-4-yl]diphenylmethanol
• IUPAC Traditional name: [1-(1H-imidazol-4-ylmethyl)piperidin-4-yl]diphenylmethanol
• Synonyms: [1-(1H-imidazol-4-ylmethyl)-4-piperidinyl](diphenyl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.7356615
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.227949
• LogD (pH = 7.4): 2.6596723
• Log P: 2.9500673
• Molar Refractivity: 104.5616 cm^3
• Polarizability: 40.655132 Å^3
• Polar Surface Area: 52.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.68
• LOG S: -3.01
• Polar Surface Area: 52.15 Å^2
• Rotatable Bonds: 5