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

• ChemBase ID: 792215
• Molecular Formular: C22H34FN3
• Molecular Mass: 359.5238632
• Monoisotopic Mass: 359.27367632
• SMILES: N1(c2c(F)cccc2)CCN(C2CN(CC3CCCCC3)CCC2)CC1
• Canonical SMILES: Fc1ccccc1N1CCN(CC1)C1CCCN(C1)CC1CCCCC1
• InChI: InChI=1S/C22H34FN3/c23-21-10-4-5-11-22(21)26-15-13-25(14-16-26)20-9-6-12-24(18-20)17-19-7-2-1-3-8-19/h4-5,10-11,19-20H,1-3,6-9,12-18H2
• InChIKey: TVBQGORNUNPMGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1279805
• LogD (pH = 7.4): 1.8231598
• Log P: 4.6696033
• Molar Refractivity: 107.7284 cm^3
• Polarizability: 41.45585 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.12
• LOG S: -3.7
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 4