1-[(2,3-difluoro-6-methoxyphenyl)methyl]-4-(1,2,4-oxadiazol-3-yl)piperidine

• ChemBase ID: 656402
• Molecular Formular: C15H17F2N3O2
• Molecular Mass: 309.3111864
• Monoisotopic Mass: 309.12888324
• SMILES: c1(c(c(ccc1OC)F)F)CN1CCC(c2ncon2)CC1
• Canonical SMILES: COc1ccc(c(c1CN1CCC(CC1)c1nocn1)F)F
• InChI: InChI=1S/C15H17F2N3O2/c1-21-13-3-2-12(16)14(17)11(13)8-20-6-4-10(5-7-20)15-18-9-22-19-15/h2-3,9-10H,4-8H2,1H3
• InChIKey: NUWJHGMWHRJGNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2,3-difluoro-6-methoxyphenyl)methyl]-4-(1,2,4-oxadiazol-3-yl)piperidine
• IUPAC Traditional name: 1-[(2,3-difluoro-6-methoxyphenyl)methyl]-4-(1,2,4-oxadiazol-3-yl)piperidine
• Synonyms: 1-(2,3-difluoro-6-methoxybenzyl)-4-(1,2,4-oxadiazol-3-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.38711
• LogD (pH = 7.4): 2.4590967
• Log P: 2.5236568
• Molar Refractivity: 78.5334 cm^3
• Polarizability: 28.78341 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: 1.6
• LOG S: -1.81
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 4