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

• ChemBase ID: 572838
• Molecular Formular: C21H32N4
• Molecular Mass: 340.50558
• Monoisotopic Mass: 340.26269704
• SMILES: n1(c(ncc1)C)c1ccc(N2CCC(NC(CC(C)C)C)CC2)cc1
• Canonical SMILES: CC(CC(NC1CCN(CC1)c1ccc(cc1)n1ccnc1C)C)C
• InChI: InChI=1S/C21H32N4/c1-16(2)15-17(3)23-19-9-12-24(13-10-19)20-5-7-21(8-6-20)25-14-11-22-18(25)4/h5-8,11,14,16-17,19,23H,9-10,12-13,15H2,1-4H3
• InChIKey: OBBGOLHNUNKSPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(2-methyl-1H-imidazol-1-yl)phenyl]-N-(4-methylpentan-2-yl)piperidin-4-amine
• IUPAC Traditional name: 1-[4-(2-methylimidazol-1-yl)phenyl]-N-(4-methylpentan-2-yl)piperidin-4-amine
• Synonyms: N-(1,3-dimethylbutyl)-1-[4-(2-methyl-1H-imidazol-1-yl)phenyl]piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.76753956
• LogD (pH = 7.4): 0.5465698
• Log P: 3.63877
• Molar Refractivity: 115.8731 cm^3
• Polarizability: 41.42071 Å^3
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.12
• LOG S: -4.19
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 6