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

• ChemBase ID: 745871
• Molecular Formular: C15H18FN3O
• Molecular Mass: 275.3213232
• Monoisotopic Mass: 275.14339043
• SMILES: c1(nnc(o1)C)CN1C(c2cc(F)ccc2)CCCC1
• Canonical SMILES: Fc1cccc(c1)C1CCCCN1Cc1nnc(o1)C
• InChI: InChI=1S/C15H18FN3O/c1-11-17-18-15(20-11)10-19-8-3-2-7-14(19)12-5-4-6-13(16)9-12/h4-6,9,14H,2-3,7-8,10H2,1H3
• InChIKey: AFTOHBLNQKBIML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.78614026
• LogD (pH = 7.4): 1.8125373
• Log P: 1.8696218
• Molar Refractivity: 75.9352 cm^3
• Polarizability: 28.312017 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.62
• LOG S: -2.44
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 3