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

• ChemBase ID: 670576
• Molecular Formular: C20H29N3O
• Molecular Mass: 327.46376
• Monoisotopic Mass: 327.23106256
• SMILES: c1(C2CN(CCCc3ccccc3)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C20H29N3O/c1-24-16-15-23-14-11-21-20(23)19-10-6-13-22(17-19)12-5-9-18-7-3-2-4-8-18/h2-4,7-8,11,14,19H,5-6,9-10,12-13,15-17H2,1H3
• InChIKey: BBBGUZWNDGMFDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.62532437
• LogD (pH = 7.4): 1.169376
• Log P: 3.2547774
• Molar Refractivity: 98.9346 cm^3
• Polarizability: 38.26138 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.03
• LOG S: -3.17
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 8