4-{[1-(2-phenylbenzoyl)piperidin-2-yl]methyl}morpholine

• ChemBase ID: 384545
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: C(=O)(N1C(CN2CCOCC2)CCCC1)c1c(c2ccccc2)cccc1
• Canonical SMILES: O=C(c1ccccc1c1ccccc1)N1CCCCC1CN1CCOCC1
• InChI: InChI=1S/C23H28N2O2/c26-23(22-12-5-4-11-21(22)19-8-2-1-3-9-19)25-13-7-6-10-20(25)18-24-14-16-27-17-15-24/h1-5,8-9,11-12,20H,6-7,10,13-18H2
• InChIKey: GNLFYWHNCYLNHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[1-(2-phenylbenzoyl)piperidin-2-yl]methyl}morpholine
• IUPAC Traditional name: 4-{[1-(2-phenylbenzoyl)piperidin-2-yl]methyl}morpholine
• Synonyms: 4-{[1-(2-biphenylylcarbonyl)-2-piperidinyl]methyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3034046
• LogD (pH = 7.4): 3.5299964
• Log P: 3.6287408
• Molar Refractivity: 108.9718 cm^3
• Polarizability: 43.328747 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.24
• LOG S: -3.77
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4