4-(1-{3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl}-2-methylpropan-2-yl)morpholine

• ChemBase ID: 343095
• Molecular Formular: C21H33FN2O
• Molecular Mass: 348.4979232
• Monoisotopic Mass: 348.25769191
• SMILES: N1(C(CN2CC(CCc3ccc(F)cc3)CCC2)(C)C)CCOCC1
• Canonical SMILES: Fc1ccc(cc1)CCC1CCCN(C1)CC(N1CCOCC1)(C)C
• InChI: InChI=1S/C21H33FN2O/c1-21(2,24-12-14-25-15-13-24)17-23-11-3-4-19(16-23)6-5-18-7-9-20(22)10-8-18/h7-10,19H,3-6,11-17H2,1-2H3
• InChIKey: LHBHCNICVWWQJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl}-2-methylpropan-2-yl)morpholine
• IUPAC Traditional name: 4-(1-{3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl}-2-methylpropan-2-yl)morpholine
• Synonyms: 4-(2-{3-[2-(4-fluorophenyl)ethyl]-1-piperidinyl}-1,1-dimethylethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5485794
• LogD (pH = 7.4): 1.2336115
• Log P: 4.0684476
• Molar Refractivity: 102.2657 cm^3
• Polarizability: 39.81303 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.3
• LOG S: -4.41
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 6