1-(phenylmethyl)-4-pyrrol-1-ylpiperidine

1-(phenylmethyl)-4-pyrrol-1-ylpiperidine bmse011494 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C16H20N2

Natural Isotopic Abundance Mass: 240.34339999999975

Mono-Isotopic Molecular Masses:

  • C12N14: 240.16264865
  • C13N14: 256.2163260580001
  • C12N15: 242.156718436
  • C13N15: 258.2103958440002

InChI string: InChI=1S/C16H20N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h1-7,10-11,16H,8-9,12-14H2

IUPAC: 1-(phenylmethyl)-4-pyrrol-1-ylpiperidine

wwPDB CCD: AXG

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)