1-(1-cyclohexylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine

• ChemBase ID: 537048
• Molecular Formular: C21H32FN3
• Molecular Mass: 345.4972832
• Monoisotopic Mass: 345.25802626
• SMILES: N1(CC(N2CCN(c3ccc(cc3)F)CC2)CCC1)C1CCCCC1
• Canonical SMILES: Fc1ccc(cc1)N1CCN(CC1)C1CCCN(C1)C1CCCCC1
• InChI: InChI=1S/C21H32FN3/c22-18-8-10-20(11-9-18)23-13-15-24(16-14-23)21-7-4-12-25(17-21)19-5-2-1-3-6-19/h8-11,19,21H,1-7,12-17H2
• InChIKey: BOFDCVVTLUVPAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclohexylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine
• IUPAC Traditional name: 1-(1-cyclohexylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine
• Synonyms: 1-(1-cyclohexyl-3-piperidinyl)-4-(4-fluorophenyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.7246674
• LogD (pH = 7.4): 1.5033092
• Log P: 4.354591
• Molar Refractivity: 102.9976 cm^3
• Polarizability: 39.611027 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.41
• LOG S: -3.48
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 3