4-(1-phenylpiperidin-4-yl)-2-(trifluoromethyl)morpholine

• ChemBase ID: 864379
• Molecular Formular: C16H21F3N2O
• Molecular Mass: 314.3459496
• Monoisotopic Mass: 314.16059796
• SMILES: C(C1CN(C2CCN(CC2)c2ccccc2)CCO1)(F)(F)F
• Canonical SMILES: FC(C1OCCN(C1)C1CCN(CC1)c1ccccc1)(F)F
• InChI: InChI=1S/C16H21F3N2O/c17-16(18,19)15-12-21(10-11-22-15)14-6-8-20(9-7-14)13-4-2-1-3-5-13/h1-5,14-15H,6-12H2
• InChIKey: CFSUBOSAZMLVEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-phenylpiperidin-4-yl)-2-(trifluoromethyl)morpholine
• IUPAC Traditional name: 4-(1-phenylpiperidin-4-yl)-2-(trifluoromethyl)morpholine
• Synonyms: 4-(1-phenylpiperidin-4-yl)-2-(trifluoromethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6914266
• LogD (pH = 7.4): 2.8287802
• Log P: 2.9044588
• Molar Refractivity: 80.1325 cm^3
• Polarizability: 29.85638 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.81
• LOG S: -2.88
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 3