1-(oxan-4-ylmethyl)piperazine

1-(oxan-4-ylmethyl)piperazine bmse011553 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C10H20N2O

Natural Isotopic Abundance Mass: 184.2785999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 184.15756327
  • C13N14: 194.19111165000004
  • C12N15: 186.151633056
  • C13N15: 196.18518143600005

InChI string: InChI=1S/C10H20N2O/c1-7-13-8-2-10(1)9-12-5-3-11-4-6-12/h10-11H,1-9H2

IUPAC: 1-(oxan-4-ylmethyl)piperazine

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)