Ethyl 1-pyrazin-2-ylpiperidine-4-carboxylate

Ethyl 1-pyrazin-2-ylpiperidine-4-carboxylate bmse011508 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C12H17N3O2

Natural Isotopic Abundance Mass: 235.28227999999984

Mono-Isotopic Molecular Masses:

  • C12N14: 235.132076799
  • C13N14: 247.17233485500006
  • C12N15: 238.12318147800002
  • C13N15: 250.16343953400008

InChI string: InChI=1S/C12H17N3O2/c1-2-17-12(16)10-3-7-15(8-4-10)11-9-13-5-6-14-11/h5-6,9-10H,2-4,7-8H2,1H3

IUPAC: ethyl 1-pyrazin-2-ylpiperidine-4-carboxylate

wwPDB CCD: HGE

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)