3-[2-(4-fluorophenyl)ethyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine

• ChemBase ID: 834790
• Molecular Formular: C17H22FN3O
• Molecular Mass: 303.3744832
• Monoisotopic Mass: 303.17469056
• SMILES: c1(nnc(o1)C)CN1CC(CCc2ccc(F)cc2)CCC1
• Canonical SMILES: Fc1ccc(cc1)CCC1CCCN(C1)Cc1nnc(o1)C
• InChI: InChI=1S/C17H22FN3O/c1-13-19-20-17(22-13)12-21-10-2-3-15(11-21)5-4-14-6-8-16(18)9-7-14/h6-9,15H,2-5,10-12H2,1H3
• InChIKey: JKVUYRLLUUJQKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(4-fluorophenyl)ethyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine
• IUPAC Traditional name: 3-[2-(4-fluorophenyl)ethyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine
• Synonyms: 3-[2-(4-fluorophenyl)ethyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.37299627
• LogD (pH = 7.4): 2.0521693
• Log P: 2.4732957
• Molar Refractivity: 85.421 cm^3
• Polarizability: 31.91146 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.54
• LOG S: -3.43
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 5