2-phenyl-1-[1-(5-phenyl-1,2,4-triazin-3-yl)piperidin-4-yl]ethan-1-ol

• ChemBase ID: 861756
• Molecular Formular: C22H24N4O
• Molecular Mass: 360.45216
• Monoisotopic Mass: 360.19501141
• SMILES: c1(nc(cnn1)c1ccccc1)N1CCC(C(Cc2ccccc2)O)CC1
• Canonical SMILES: OC(C1CCN(CC1)c1nncc(n1)c1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C22H24N4O/c27-21(15-17-7-3-1-4-8-17)19-11-13-26(14-12-19)22-24-20(16-23-25-22)18-9-5-2-6-10-18/h1-10,16,19,21,27H,11-15H2
• InChIKey: PJHYUULVLGRRSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-1-[1-(5-phenyl-1,2,4-triazin-3-yl)piperidin-4-yl]ethan-1-ol
• IUPAC Traditional name: 2-phenyl-1-[1-(5-phenyl-1,2,4-triazin-3-yl)piperidin-4-yl]ethanol
• Synonyms: 2-phenyl-1-[1-(5-phenyl-1,2,4-triazin-3-yl)-4-piperidinyl]ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.834474
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.7413309
• LogD (pH = 7.4): 3.7414315
• Log P: 3.741433
• Molar Refractivity: 109.3045 cm^3
• Polarizability: 42.08013 Å^3
• Polar Surface Area: 62.14 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: 3.52
• LOG S: -5.65
• Polar Surface Area: 62.14 Å^2
• Rotatable Bonds: 5