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

• ChemBase ID: 332592
• Molecular Formular: C19H27N3O
• Molecular Mass: 313.43718
• Monoisotopic Mass: 313.2154125
• SMILES: c1(C2CN(CCC2)CCOCc2ccccc2)n(ccn1)CC
• Canonical SMILES: CCn1ccnc1C1CCCN(C1)CCOCc1ccccc1
• InChI: InChI=1S/C19H27N3O/c1-2-22-12-10-20-19(22)18-9-6-11-21(15-18)13-14-23-16-17-7-4-3-5-8-17/h3-5,7-8,10,12,18H,2,6,9,11,13-16H2,1H3
• InChIKey: DSRZEPWBWYSBBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.38823316
• LogD (pH = 7.4): 1.6748494
• Log P: 2.8783555
• Molar Refractivity: 94.3272 cm^3
• Polarizability: 36.49006 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.56
• LOG S: -2.66
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 7