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

• ChemBase ID: 318917
• Molecular Formular: C15H22FN3
• Molecular Mass: 263.3536832
• Monoisotopic Mass: 263.17977594
• SMILES: N1(c2ccc(cc2)F)CCN(CC1)C1CNCCC1
• Canonical SMILES: Fc1ccc(cc1)N1CCN(CC1)C1CCCNC1
• InChI: InChI=1S/C15H22FN3/c16-13-3-5-14(6-4-13)18-8-10-19(11-9-18)15-2-1-7-17-12-15/h3-6,15,17H,1-2,7-12H2
• InChIKey: QTUSPEVNIWRLGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4888035
• LogD (pH = 7.4): -0.26894605
• Log P: 2.1722722
• Molar Refractivity: 76.6887 cm^3
• Polarizability: 29.285969 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.97
• LOG S: -1.8
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 2