1-(2-fluorophenyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-amine

• ChemBase ID: 689715
• Molecular Formular: C16H21FN4O
• Molecular Mass: 304.3625432
• Monoisotopic Mass: 304.16993953
• SMILES: c1(oc(nn1)CCC)NC1CCN(c2c(F)cccc2)CC1
• Canonical SMILES: CCCc1nnc(o1)NC1CCN(CC1)c1ccccc1F
• InChI: InChI=1S/C16H21FN4O/c1-2-5-15-19-20-16(22-15)18-12-8-10-21(11-9-12)14-7-4-3-6-13(14)17/h3-4,6-7,12H,2,5,8-11H2,1H3,(H,18,20)
• InChIKey: WIWYBOVYLYBUHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorophenyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-amine
• IUPAC Traditional name: 1-(2-fluorophenyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-amine
• Synonyms: 1-(2-fluorophenyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.402968
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4404771
• LogD (pH = 7.4): 2.4404697
• Log P: 2.4405112
• Molar Refractivity: 86.4853 cm^3
• Polarizability: 30.93315 Å^3
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.05
• LOG S: -4.03
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 5