1-benzyl-4-{[2-(oxolan-3-yl)-1H-imidazol-1-yl]methyl}piperidine

• ChemBase ID: 503990
• Molecular Formular: C20H27N3O
• Molecular Mass: 325.44788
• Monoisotopic Mass: 325.2154125
• SMILES: c1(n(ccn1)CC1CCN(Cc2ccccc2)CC1)C1COCC1
• Canonical SMILES: C1OCC(C1)c1nccn1CC1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C20H27N3O/c1-2-4-17(5-3-1)14-22-10-6-18(7-11-22)15-23-12-9-21-20(23)19-8-13-24-16-19/h1-5,9,12,18-19H,6-8,10-11,13-16H2
• InChIKey: FUPFPZXCZYOHRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-4-{[2-(oxolan-3-yl)-1H-imidazol-1-yl]methyl}piperidine
• IUPAC Traditional name: 1-benzyl-4-{[2-(oxolan-3-yl)imidazol-1-yl]methyl}piperidine
• Synonyms: 1-benzyl-4-{[2-(tetrahydrofuran-3-yl)-1H-imidazol-1-yl]methyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.5245477
• LogD (pH = 7.4): 0.64730275
• Log P: 2.545741
• Molar Refractivity: 97.2276 cm^3
• Polarizability: 37.60173 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: 1.94
• LOG S: -2.22
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 5