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

• ChemBase ID: 502105
• Molecular Formular: C17H23F3N2O
• Molecular Mass: 328.3725296
• Monoisotopic Mass: 328.17624803
• SMILES: C(C1CN(C2CCN(CC2)Cc2ccccc2)CCO1)(F)(F)F
• Canonical SMILES: FC(C1OCCN(C1)C1CCN(CC1)Cc1ccccc1)(F)F
• InChI: InChI=1S/C17H23F3N2O/c18-17(19,20)16-13-22(10-11-23-16)15-6-8-21(9-7-15)12-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2
• InChIKey: RBKBWAZSDSYROT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.679685
• LogD (pH = 7.4): 0.9776804
• Log P: 2.7378116
• Molar Refractivity: 84.2466 cm^3
• Polarizability: 32.04004 Å^3
• Polar Surface Area: 15.71 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: 2.8
• LOG S: -2.98
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 4