1-[2-(6-hydroxypyrimidin-4-yl)ethyl]-5,5-diphenylpiperidin-2-one

• ChemBase ID: 850739
• Molecular Formular: C23H23N3O2
• Molecular Mass: 373.44762
• Monoisotopic Mass: 373.17902699
• SMILES: N1(CC(CCC1=O)(c1ccccc1)c1ccccc1)CCc1cc(ncn1)O
• Canonical SMILES: O=C1CCC(CN1CCc1ncnc(c1)O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H23N3O2/c27-21-15-20(24-17-25-21)12-14-26-16-23(13-11-22(26)28,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,15,17H,11-14,16H2,(H,24,25,27)
• InChIKey: RYOSDVZENNNHPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(6-hydroxypyrimidin-4-yl)ethyl]-5,5-diphenylpiperidin-2-one
• IUPAC Traditional name: 1-[2-(6-hydroxypyrimidin-4-yl)ethyl]-5,5-diphenylpiperidin-2-one
• Synonyms: 1-[2-(6-hydroxypyrimidin-4-yl)ethyl]-5,5-diphenylpiperidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.733108
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.5095534
• LogD (pH = 7.4): 3.5095367
• Log P: 3.5095565
• Molar Refractivity: 119.0582 cm^3
• Polarizability: 41.70143 Å^3
• Polar Surface Area: 66.32 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: 2.13
• LOG S: -4.99
• Polar Surface Area: 66.32 Å^2
• Rotatable Bonds: 5