4-{[2-(4-fluorophenyl)azetidin-1-yl]methyl}-1-(propan-2-yl)piperidine

• ChemBase ID: 678267
• Molecular Formular: C18H27FN2
• Molecular Mass: 290.4187832
• Monoisotopic Mass: 290.21582709
• SMILES: N1(C(CC1)c1ccc(cc1)F)CC1CCN(CC1)C(C)C
• Canonical SMILES: Fc1ccc(cc1)C1CCN1CC1CCN(CC1)C(C)C
• InChI: InChI=1S/C18H27FN2/c1-14(2)20-10-7-15(8-11-20)13-21-12-9-18(21)16-3-5-17(19)6-4-16/h3-6,14-15,18H,7-13H2,1-2H3
• InChIKey: RQJGGGTYABOIBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[2-(4-fluorophenyl)azetidin-1-yl]methyl}-1-(propan-2-yl)piperidine
• IUPAC Traditional name: 4-{[2-(4-fluorophenyl)azetidin-1-yl]methyl}-1-isopropylpiperidine
• Synonyms: 4-{[2-(4-fluorophenyl)azetidin-1-yl]methyl}-1-isopropylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.9179902
• LogD (pH = 7.4): -0.0849263
• Log P: 3.2663362
• Molar Refractivity: 86.8202 cm^3
• Polarizability: 33.674652 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.31
• LOG S: -3.14
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4