1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone

1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone bmse011663 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

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Molecular Formula: C15H22N2O

Natural Isotopic Abundance Mass: 246.34797999999975

Mono-Isotopic Molecular Masses:

  • C12N14: 246.173213334
  • C13N14: 261.22353590400024
  • C12N15: 248.16728312
  • C13N15: 263.2176056900003

InChI string: InChI=1S/C15H22N2O/c1-14(18)17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-4,6-7H,5,8-13H2,1H3

IUPAC: 1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone

wwPDB CCD: O3J

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)