1-ethyl-3-{1-[2-(3-fluorophenyl)ethyl]-1H-imidazol-2-yl}piperidine

• ChemBase ID: 709480
• Molecular Formular: C18H24FN3
• Molecular Mass: 301.4016632
• Monoisotopic Mass: 301.195426
• SMILES: c1(C2CN(CCC2)CC)n(ccn1)CCc1cc(F)ccc1
• Canonical SMILES: CCN1CCCC(C1)c1nccn1CCc1cccc(c1)F
• InChI: InChI=1S/C18H24FN3/c1-2-21-10-4-6-16(14-21)18-20-9-12-22(18)11-8-15-5-3-7-17(19)13-15/h3,5,7,9,12-13,16H,2,4,6,8,10-11,14H2,1H3
• InChIKey: WINOJCPSEVULRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-{1-[2-(3-fluorophenyl)ethyl]-1H-imidazol-2-yl}piperidine
• IUPAC Traditional name: 1-ethyl-3-{1-[2-(3-fluorophenyl)ethyl]imidazol-2-yl}piperidine
• Synonyms: 1-ethyl-3-{1-[2-(3-fluorophenyl)ethyl]-1H-imidazol-2-yl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.1717391
• LogD (pH = 7.4): 1.782383
• Log P: 3.356694
• Molar Refractivity: 88.2551 cm^3
• Polarizability: 33.519493 Å^3
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.29
• LOG S: -3.2
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 5