benzyl 3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carboxylate

• ChemBase ID: 643206
• Molecular Formular: C19H25N3O3
• Molecular Mass: 343.4201
• Monoisotopic Mass: 343.18959168
• SMILES: c1(C2CN(C(=O)OCc3ccccc3)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)OCc1ccccc1
• InChI: InChI=1S/C19H25N3O3/c1-24-13-12-21-11-9-20-18(21)17-8-5-10-22(14-17)19(23)25-15-16-6-3-2-4-7-16/h2-4,6-7,9,11,17H,5,8,10,12-15H2,1H3
• InChIKey: ASPOFIVAJVTGRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl 3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carboxylate
• IUPAC Traditional name: benzyl 3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carboxylate
• Synonyms: benzyl 3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinecarboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7091445
• LogD (pH = 7.4): 2.3399138
• Log P: 2.367733
• Molar Refractivity: 95.4734 cm^3
• Polarizability: 36.93657 Å^3
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.87
• LOG S: -3.3
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 7