4-phenyl-1-[1-(2-phenylethyl)-1H-1,2,3-triazole-4-carbonyl]piperidin-4-ol

• ChemBase ID: 596851
• Molecular Formular: C22H24N4O2
• Molecular Mass: 376.45156
• Monoisotopic Mass: 376.18992603
• SMILES: c1(nnn(c1)CCc1ccccc1)C(=O)N1CCC(CC1)(c1ccccc1)O
• Canonical SMILES: O=C(c1nnn(c1)CCc1ccccc1)N1CCC(CC1)(O)c1ccccc1
• InChI: InChI=1S/C22H24N4O2/c27-21(20-17-26(24-23-20)14-11-18-7-3-1-4-8-18)25-15-12-22(28,13-16-25)19-9-5-2-6-10-19/h1-10,17,28H,11-16H2
• InChIKey: GDEBPKZJEHOMAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenyl-1-[1-(2-phenylethyl)-1H-1,2,3-triazole-4-carbonyl]piperidin-4-ol
• IUPAC Traditional name: 4-phenyl-1-[1-(2-phenylethyl)-1,2,3-triazole-4-carbonyl]piperidin-4-ol
• Synonyms: 4-phenyl-1-{[1-(2-phenylethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-4-piperidinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.99743
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.6835084
• LogD (pH = 7.4): 2.6835084
• Log P: 2.6835086
• Molar Refractivity: 119.4123 cm^3
• Polarizability: 40.909958 Å^3
• Polar Surface Area: 71.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.45
• LOG S: -5.69
• Polar Surface Area: 71.25 Å^2
• Rotatable Bonds: 5