5-methyl-1-[2-(morpholin-4-yl)ethyl]-5-phenylpiperidin-2-one

• ChemBase ID: 462944
• Molecular Formular: C18H26N2O2
• Molecular Mass: 302.41124
• Monoisotopic Mass: 302.19942808
• SMILES: N1(C(=O)CCC(C1)(c1ccccc1)C)CCN1CCOCC1
• Canonical SMILES: O=C1CCC(CN1CCN1CCOCC1)(C)c1ccccc1
• InChI: InChI=1S/C18H26N2O2/c1-18(16-5-3-2-4-6-16)8-7-17(21)20(15-18)10-9-19-11-13-22-14-12-19/h2-6H,7-15H2,1H3
• InChIKey: PJTWRXFXULYBEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-1-[2-(morpholin-4-yl)ethyl]-5-phenylpiperidin-2-one
• IUPAC Traditional name: 5-methyl-1-[2-(morpholin-4-yl)ethyl]-5-phenylpiperidin-2-one
• Synonyms: 5-methyl-1-(2-morpholin-4-ylethyl)-5-phenylpiperidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9604509
• LogD (pH = 7.4): 1.7370279
• Log P: 1.7655572
• Molar Refractivity: 87.8139 cm^3
• Polarizability: 34.395584 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: 2.07
• LOG S: -2.93
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4