1-[4-(1H-imidazol-1-yl)phenyl]-N-[(2-methoxyphenyl)methyl]-N-methylpiperidin-4-amine

• ChemBase ID: 432727
• Molecular Formular: C23H28N4O
• Molecular Mass: 376.49462
• Monoisotopic Mass: 376.22631154
• SMILES: n1(cncc1)c1ccc(N2CCC(N(Cc3c(OC)cccc3)C)CC2)cc1
• Canonical SMILES: COc1ccccc1CN(C1CCN(CC1)c1ccc(cc1)n1cncc1)C
• InChI: InChI=1S/C23H28N4O/c1-25(17-19-5-3-4-6-23(19)28-2)20-11-14-26(15-12-20)21-7-9-22(10-8-21)27-16-13-24-18-27/h3-10,13,16,18,20H,11-12,14-15,17H2,1-2H3
• InChIKey: QZQKFMHAFGYCOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(1H-imidazol-1-yl)phenyl]-N-[(2-methoxyphenyl)methyl]-N-methylpiperidin-4-amine
• IUPAC Traditional name: 1-[4-(imidazol-1-yl)phenyl]-N-[(2-methoxyphenyl)methyl]-N-methylpiperidin-4-amine
• Synonyms: 1-[4-(1H-imidazol-1-yl)phenyl]-N-(2-methoxybenzyl)-N-methylpiperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.23034877
• LogD (pH = 7.4): 1.9880155
• Log P: 3.4380622
• Molar Refractivity: 124.9619 cm^3
• Polarizability: 44.384438 Å^3
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.97
• LOG S: -4.33
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 6