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

• ChemBase ID: 759722
• Molecular Formular: C20H30FN3O
• Molecular Mass: 347.4701032
• Monoisotopic Mass: 347.23729082
• SMILES: N1(CC(N2CCN(c3ccc(cc3)F)CC2)CCC1)C1CCOCC1
• Canonical SMILES: Fc1ccc(cc1)N1CCN(CC1)C1CCCN(C1)C1CCOCC1
• InChI: InChI=1S/C20H30FN3O/c21-17-3-5-18(6-4-17)22-10-12-23(13-11-22)20-2-1-9-24(16-20)19-7-14-25-15-8-19/h3-6,19-20H,1-2,7-16H2
• InChIKey: UQHRVFCISPEFIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0885906
• LogD (pH = 7.4): -0.014114354
• Log P: 2.5165064
• Molar Refractivity: 100.4589 cm^3
• Polarizability: 38.45913 Å^3
• Polar Surface Area: 18.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.01
• LOG S: -2.0
• Polar Surface Area: 18.95 Å^2
• Rotatable Bonds: 3