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

• ChemBase ID: 721023
• Molecular Formular: C22H28FN3
• Molecular Mass: 353.4762232
• Monoisotopic Mass: 353.22672613
• SMILES: N1(c2ccc(c3cc(F)ccc3)cc2)CCC(NC2CCNCC2)CC1
• Canonical SMILES: Fc1cccc(c1)c1ccc(cc1)N1CCC(CC1)NC1CCNCC1
• InChI: InChI=1S/C22H28FN3/c23-19-3-1-2-18(16-19)17-4-6-22(7-5-17)26-14-10-21(11-15-26)25-20-8-12-24-13-9-20/h1-7,16,20-21,24-25H,8-15H2
• InChIKey: DDBFSAGFSHEHPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(3-fluorophenyl)phenyl]-N-(piperidin-4-yl)piperidin-4-amine
• IUPAC Traditional name: 1-[4-(3-fluorophenyl)phenyl]-N-(piperidin-4-yl)piperidin-4-amine
• Synonyms: 1-(3'-fluorobiphenyl-4-yl)-N-piperidin-4-ylpiperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7431195
• LogD (pH = 7.4): -0.7822171
• Log P: 3.1587334
• Molar Refractivity: 106.152 cm^3
• Polarizability: 42.115772 Å^3
• Polar Surface Area: 27.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.34
• LOG S: -3.62
• Polar Surface Area: 27.3 Å^2
• Rotatable Bonds: 4