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

• ChemBase ID: 749443
• Molecular Formular: C18H24FN3O
• Molecular Mass: 317.4010632
• Monoisotopic Mass: 317.19034062
• SMILES: c1(n(ccn1)CCOC)CN1C(c2cc(F)ccc2)CCCC1
• Canonical SMILES: COCCn1ccnc1CN1CCCCC1c1cccc(c1)F
• InChI: InChI=1S/C18H24FN3O/c1-23-12-11-21-10-8-20-18(21)14-22-9-3-2-7-17(22)15-5-4-6-16(19)13-15/h4-6,8,10,13,17H,2-3,7,9,11-12,14H2,1H3
• InChIKey: DVTQMNXTYCFMEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6728138
• LogD (pH = 7.4): 2.7411478
• Log P: 2.8233478
• Molar Refractivity: 89.4639 cm^3
• Polarizability: 34.366364 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: 2.73
• LOG S: -2.84
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 6