({1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl}methyl)(methyl)(1,2-oxazol-3-ylmethyl)amine

• ChemBase ID: 574331
• Molecular Formular: C19H26FN3O
• Molecular Mass: 331.4276432
• Monoisotopic Mass: 331.20599069
• SMILES: n1c(cco1)CN(CC1CN(CCc2c(F)cccc2)CCC1)C
• Canonical SMILES: CN(Cc1ccon1)CC1CCCN(C1)CCc1ccccc1F
• InChI: InChI=1S/C19H26FN3O/c1-22(15-18-9-12-24-21-18)13-16-5-4-10-23(14-16)11-8-17-6-2-3-7-19(17)20/h2-3,6-7,9,12,16H,4-5,8,10-11,13-15H2,1H3
• InChIKey: HUHINVUQKXLLCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl}methyl)(methyl)(1,2-oxazol-3-ylmethyl)amine
• IUPAC Traditional name: ({1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl}methyl)(methyl)(1,2-oxazol-3-ylmethyl)amine
• Synonyms: ({1-[2-(2-fluorophenyl)ethyl]-3-piperidinyl}methyl)(3-isoxazolylmethyl)methylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.96706194
• LogD (pH = 7.4): 1.2995418
• Log P: 3.0454597
• Molar Refractivity: 95.2748 cm^3
• Polarizability: 36.216476 Å^3
• Polar Surface Area: 32.51 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.7
• LOG S: -1.92
• Polar Surface Area: 32.51 Å^2
• Rotatable Bonds: 7