2-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone

2-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone bmse011658 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C14H20N2O2

Natural Isotopic Abundance Mass: 248.3207999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 248.15247789
  • C13N14: 262.19944562200027
  • C12N15: 250.146547676
  • C13N15: 264.19351540800034

InChI string: InChI=1S/C14H20N2O2/c1-12-3-5-13(6-4-12)18-11-14(17)16-9-7-15(2)8-10-16/h3-6H,7-11H2,1-2H3

IUPAC: 2-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)