BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

1-pyridin-2-ylpiperazine

1-pyridin-2-ylpiperazine bmse012110 - Data

1-pyridin-2-ylpiperazine synonyms

Wikipedia:

Graphical representations:

1-pyridin-2-ylpiperazine

View large 3D structure

Molecular Formula: C9H13N3

Natural Isotopic Abundance Mass: 163.21961999999996

Mono-Isotopic Molecular Masses:

  • C12N14: 163.110947431
  • C13N14: 172.14114097300003
  • C12N15: 166.10205211000002
  • C13N15: 175.13224565200005

InChI string: InChI=1S/C9H13N3/c1-2-4-11-9(3-1)12-7-5-10-6-8-12/h1-4,10H,5-8H2

IUPAC: b'1-pyridin-2-ylpiperazine'

EU-OPENSCREEN: EOS102835

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)