3-(1-ethyl-1H-imidazol-2-yl)-1-[(3-methoxyphenyl)methyl]piperidine

• ChemBase ID: 733189
• Molecular Formular: C18H25N3O
• Molecular Mass: 299.4106
• Monoisotopic Mass: 299.19976244
• SMILES: c1(C2CN(Cc3cc(OC)ccc3)CCC2)n(ccn1)CC
• Canonical SMILES: COc1cccc(c1)CN1CCCC(C1)c1nccn1CC
• InChI: InChI=1S/C18H25N3O/c1-3-21-11-9-19-18(21)16-7-5-10-20(14-16)13-15-6-4-8-17(12-15)22-2/h4,6,8-9,11-12,16H,3,5,7,10,13-14H2,1-2H3
• InChIKey: YLURWNWJRXFHPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-ethyl-1H-imidazol-2-yl)-1-[(3-methoxyphenyl)methyl]piperidine
• IUPAC Traditional name: 3-(1-ethylimidazol-2-yl)-1-[(3-methoxyphenyl)methyl]piperidine
• Synonyms: 3-(1-ethyl-1H-imidazol-2-yl)-1-(3-methoxybenzyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.7738899
• LogD (pH = 7.4): 1.2487224
• Log P: 2.7676597
• Molar Refractivity: 89.7469 cm^3
• Polarizability: 34.630005 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: 2.44
• LOG S: -2.46
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 5