4-{[3-(4-fluorophenoxy)azetidin-1-yl]methyl}-1,4-dimethylpiperidine

• ChemBase ID: 646374
• Molecular Formular: C17H25FN2O
• Molecular Mass: 292.3916032
• Monoisotopic Mass: 292.19509165
• SMILES: N1(CC(C1)Oc1ccc(F)cc1)CC1(CCN(CC1)C)C
• Canonical SMILES: CN1CCC(CC1)(C)CN1CC(C1)Oc1ccc(cc1)F
• InChI: InChI=1S/C17H25FN2O/c1-17(7-9-19(2)10-8-17)13-20-11-16(12-20)21-15-5-3-14(18)4-6-15/h3-6,16H,7-13H2,1-2H3
• InChIKey: KCQKGIAZYQQRPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[3-(4-fluorophenoxy)azetidin-1-yl]methyl}-1,4-dimethylpiperidine
• IUPAC Traditional name: 4-{[3-(4-fluorophenoxy)azetidin-1-yl]methyl}-1,4-dimethylpiperidine
• Synonyms: 4-{[3-(4-fluorophenoxy)azetidin-1-yl]methyl}-1,4-dimethylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.1797009
• LogD (pH = 7.4): 0.61592555
• Log P: 2.7305708
• Molar Refractivity: 83.1251 cm^3
• Polarizability: 32.505615 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: 3.14
• LOG S: -3.01
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 4