1-[(4-fluoro-3-methoxyphenyl)methyl]-4-(1,2,4-oxadiazol-3-yl)piperidine

• ChemBase ID: 409377
• Molecular Formular: C15H18FN3O2
• Molecular Mass: 291.3207232
• Monoisotopic Mass: 291.13830505
• SMILES: n1c(noc1)C1CCN(Cc2cc(c(cc2)F)OC)CC1
• Canonical SMILES: COc1cc(ccc1F)CN1CCC(CC1)c1nocn1
• InChI: InChI=1S/C15H18FN3O2/c1-20-14-8-11(2-3-13(14)16)9-19-6-4-12(5-7-19)15-17-10-21-18-15/h2-3,8,10,12H,4-7,9H2,1H3
• InChIKey: SXOCBJMPGUOFCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(4-fluoro-3-methoxyphenyl)methyl]-4-(1,2,4-oxadiazol-3-yl)piperidine
• IUPAC Traditional name: 1-[(4-fluoro-3-methoxyphenyl)methyl]-4-(1,2,4-oxadiazol-3-yl)piperidine
• Synonyms: 1-(4-fluoro-3-methoxybenzyl)-4-(1,2,4-oxadiazol-3-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.4065969
• LogD (pH = 7.4): 2.0367835
• Log P: 2.376686
• Molar Refractivity: 78.317 cm^3
• Polarizability: 29.02441 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.46
• LOG S: -1.56
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 4