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

• ChemBase ID: 494926
• Molecular Formular: C18H25N3O
• Molecular Mass: 299.4106
• Monoisotopic Mass: 299.19976244
• SMILES: c1(n(ccn1)CC)CN1CCC(c2c(OC)cccc2)CC1
• Canonical SMILES: COc1ccccc1C1CCN(CC1)Cc1nccn1CC
• InChI: InChI=1S/C18H25N3O/c1-3-21-13-10-19-18(21)14-20-11-8-15(9-12-20)16-6-4-5-7-17(16)22-2/h4-7,10,13,15H,3,8-9,11-12,14H2,1-2H3
• InChIKey: SCOBVMBNLMAMLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8267814
• LogD (pH = 7.4): 2.2928472
• Log P: 2.563341
• Molar Refractivity: 89.7766 cm^3
• Polarizability: 34.63299 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.65
• LOG S: -2.64
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 5