1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C15H18N2O

Natural Isotopic Abundance Mass: 242.3162199999998

Mono-Isotopic Molecular Masses:

  • C12N14: 242.141913206
  • C13N14: 257.19223577600013
  • C12N15: 244.135982992
  • C13N15: 259.1863055620002

InChI string: InChI=1S/C15H18N2O/c1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15/h2-5,10,12,16H,6-9H2,1H3

IUPAC: 1-[4-(1H-indol-3-yl)piperidin-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)