4-(2-methoxyphenyl)-1-[(1-methyl-1H-imidazol-5-yl)methyl]piperidine

• ChemBase ID: 566193
• Molecular Formular: C17H23N3O
• Molecular Mass: 285.38402
• Monoisotopic Mass: 285.18411237
• SMILES: c1(n(cnc1)C)CN1CCC(c2c(OC)cccc2)CC1
• Canonical SMILES: COc1ccccc1C1CCN(CC1)Cc1cncn1C
• InChI: InChI=1S/C17H23N3O/c1-19-13-18-11-15(19)12-20-9-7-14(8-10-20)16-5-3-4-6-17(16)21-2/h3-6,11,13-14H,7-10,12H2,1-2H3
• InChIKey: FUSIPALMIAAFAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyphenyl)-1-[(1-methyl-1H-imidazol-5-yl)methyl]piperidine
• IUPAC Traditional name: 4-(2-methoxyphenyl)-1-[(3-methylimidazol-4-yl)methyl]piperidine
• Synonyms: 4-(2-methoxyphenyl)-1-[(1-methyl-1H-imidazol-5-yl)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.27655616
• LogD (pH = 7.4): 1.3279836
• Log P: 2.0533676
• Molar Refractivity: 85.5785 cm^3
• Polarizability: 32.788082 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.33
• LOG S: -1.41
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 4