4-(1-ethyl-1H-imidazol-2-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine

• ChemBase ID: 625237
• Molecular Formular: C18H24FN3O
• Molecular Mass: 317.4010632
• Monoisotopic Mass: 317.19034062
• SMILES: c1(n(ccn1)CC)C1CCN(CC1)CCOc1ccc(F)cc1
• Canonical SMILES: CCn1ccnc1C1CCN(CC1)CCOc1ccc(cc1)F
• InChI: InChI=1S/C18H24FN3O/c1-2-22-12-9-20-18(22)15-7-10-21(11-8-15)13-14-23-17-5-3-16(19)4-6-17/h3-6,9,12,15H,2,7-8,10-11,13-14H2,1H3
• InChIKey: JTTVEIQOAPZDBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-ethyl-1H-imidazol-2-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine
• IUPAC Traditional name: 4-(1-ethylimidazol-2-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine
• Synonyms: 4-(1-ethyl-1H-imidazol-2-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.7032422
• LogD (pH = 7.4): 1.5947778
• Log P: 2.831702
• Molar Refractivity: 89.5937 cm^3
• Polarizability: 34.279575 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.94
• LOG S: -3.02
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 6