1-(2-methoxyethyl)-4-(4-phenyl-1H-imidazol-5-yl)piperidine

• ChemBase ID: 316365
• Molecular Formular: C17H23N3O
• Molecular Mass: 285.38402
• Monoisotopic Mass: 285.18411237
• SMILES: c1(c([nH]cn1)C1CCN(CC1)CCOC)c1ccccc1
• Canonical SMILES: COCCN1CCC(CC1)c1[nH]cnc1c1ccccc1
• InChI: InChI=1S/C17H23N3O/c1-21-12-11-20-9-7-15(8-10-20)17-16(18-13-19-17)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,18,19)
• InChIKey: XDIGKQRIPWANOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-4-(4-phenyl-1H-imidazol-5-yl)piperidine
• IUPAC Traditional name: 1-(2-methoxyethyl)-4-(5-phenyl-3H-imidazol-4-yl)piperidine
• Synonyms: 1-(2-methoxyethyl)-4-(4-phenyl-1H-imidazol-5-yl)piperidine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.736983
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.500687
• LogD (pH = 7.4): 0.5719594
• Log P: 2.1710362
• Molar Refractivity: 85.4907 cm^3
• Polarizability: 34.277054 Å^3
• Polar Surface Area: 41.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.47
• LOG S: -2.38
• Polar Surface Area: 41.15 Å^2
• Rotatable Bonds: 5