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

• ChemBase ID: 383200
• Molecular Formular: C22H28FN3
• Molecular Mass: 353.4762232
• Monoisotopic Mass: 353.22672613
• SMILES: N1(C2CCN(c3ccc(cc3)F)CC2)CC(Nc2ccccc2)CCC1
• Canonical SMILES: Fc1ccc(cc1)N1CCC(CC1)N1CCCC(C1)Nc1ccccc1
• InChI: InChI=1S/C22H28FN3/c23-18-8-10-21(11-9-18)25-15-12-22(13-16-25)26-14-4-7-20(17-26)24-19-5-2-1-3-6-19/h1-3,5-6,8-11,20,22,24H,4,7,12-17H2
• InChIKey: XRYUNOGGBSUHPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.61847776
• LogD (pH = 7.4): 1.9482497
• Log P: 3.9908612
• Molar Refractivity: 107.6481 cm^3
• Polarizability: 40.344894 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 4.84
• LOG S: -5.41
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 4