Biological Magnetic Resonance Data Bank

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

2-(4-phenylpiperidin-1-yl)acetic Acid;hydrochloride

NMR Quality Control Of Fragment Libraries For Screening synonyms


Graphical representations:


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Molecular Formula: C13H18ClNO2

Natural Isotopic Abundance Mass: 255.74051999999983

Mono-Isotopic Molecular Masses:

  • C12N14: 255.102606501
  • C13N14: 268.1462193950001
  • C12N15: 256.099641394
  • C13N15: 269.1432542880001

InChI string: InChI=1S/C13H17NO2.ClH/c15-13(16)10-14-8-6-12(7-9-14)11-4-2-1-3-5-11;/h1-5,12H,6-10H2,(H,15,16);1H

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,