1-[3-(3-fluorophenyl)phenyl]-N-(oxan-3-yl)piperidin-4-amine

• ChemBase ID: 853836
• Molecular Formular: C22H27FN2O
• Molecular Mass: 354.4609832
• Monoisotopic Mass: 354.21074171
• SMILES: N1(c2cc(c3cc(F)ccc3)ccc2)CCC(NC2COCCC2)CC1
• Canonical SMILES: Fc1cccc(c1)c1cccc(c1)N1CCC(CC1)NC1CCCOC1
• InChI: InChI=1S/C22H27FN2O/c23-19-6-1-4-17(14-19)18-5-2-8-22(15-18)25-11-9-20(10-12-25)24-21-7-3-13-26-16-21/h1-2,4-6,8,14-15,20-21,24H,3,7,9-13,16H2
• InChIKey: BWOZKXYOBKZRMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(3-fluorophenyl)phenyl]-N-(oxan-3-yl)piperidin-4-amine
• IUPAC Traditional name: 1-[3-(3-fluorophenyl)phenyl]-N-(oxan-3-yl)piperidin-4-amine
• Synonyms: 1-(3'-fluoro-3-biphenylyl)-N-(tetrahydro-2H-pyran-3-yl)-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.69942033
• LogD (pH = 7.4): 1.4868617
• Log P: 3.9335642
• Molar Refractivity: 104.2503 cm^3
• Polarizability: 41.259556 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.25
• LOG S: -4.41
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4