1-(2-fluorophenyl)-4-[1-(furan-3-ylmethyl)piperidin-3-yl]piperazine

• ChemBase ID: 479568
• Molecular Formular: C20H26FN3O
• Molecular Mass: 343.4383432
• Monoisotopic Mass: 343.20599069
• SMILES: N1(c2c(F)cccc2)CCN(C2CN(Cc3cocc3)CCC2)CC1
• Canonical SMILES: Fc1ccccc1N1CCN(CC1)C1CCCN(C1)Cc1ccoc1
• InChI: InChI=1S/C20H26FN3O/c21-19-5-1-2-6-20(19)24-11-9-23(10-12-24)18-4-3-8-22(15-18)14-17-7-13-25-16-17/h1-2,5-7,13,16,18H,3-4,8-12,14-15H2
• InChIKey: MJKYFBBWCAHWMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorophenyl)-4-[1-(furan-3-ylmethyl)piperidin-3-yl]piperazine
• IUPAC Traditional name: 1-(2-fluorophenyl)-4-[1-(furan-3-ylmethyl)piperidin-3-yl]piperazine
• Synonyms: 1-(2-fluorophenyl)-4-[1-(3-furylmethyl)-3-piperidinyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.41214353
• LogD (pH = 7.4): 2.1744921
• Log P: 3.420039
• Molar Refractivity: 99.1094 cm^3
• Polarizability: 37.58568 Å^3
• Polar Surface Area: 22.86 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.25
• LOG S: -1.98
• Polar Surface Area: 22.86 Å^2
• Rotatable Bonds: 4