1-[4-(3-fluorophenyl)phenyl]-N-[(1-methyl-1H-imidazol-2-yl)methyl]piperidin-4-amine

• ChemBase ID: 674197
• Molecular Formular: C22H25FN4
• Molecular Mass: 364.4591032
• Monoisotopic Mass: 364.20632504
• SMILES: c1(n(ccn1)C)CNC1CCN(c2ccc(c3cc(F)ccc3)cc2)CC1
• Canonical SMILES: Fc1cccc(c1)c1ccc(cc1)N1CCC(CC1)NCc1nccn1C
• InChI: InChI=1S/C22H25FN4/c1-26-14-11-24-22(26)16-25-20-9-12-27(13-10-20)21-7-5-17(6-8-21)18-3-2-4-19(23)15-18/h2-8,11,14-15,20,25H,9-10,12-13,16H2,1H3
• InChIKey: XGUNKGWPJWHBFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0216708
• LogD (pH = 7.4): 2.6813984
• Log P: 3.4178207
• Molar Refractivity: 107.7867 cm^3
• Polarizability: 42.09357 Å^3
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.6
• LOG S: -3.92
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 5