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CHEBI:51861 - methyl (S)-phenyl[(R)-piperidin-2-yl]acetate

ChEBI IDCHEBI:51861
ChEBI Namemethyl (S)-phenyl[(R)-piperidin-2-yl]acetate
Stars
ASCII Namemethyl (S)-phenyl[(R)-piperidin-2-yl]acetate
DefinitionA methyl phenyl(piperidin-2-yl)acetate that has S configuration α to the carbonyl group and R configuration at the stereocentre bearing the nitrogen.
Last Modified13 January 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC14H19NO2
Net Charge0
Average Mass233.311
Monoisotopic Mass233.14158
SMILES[H][C@]1([C@@]([H])(C(=O)OC)c2ccccc2)CCCCN1
InChIInChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13+/m1/s1
InChIKeyDUGOZIWVEXMGBE-OLZOCXBDSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl (S)-phenyl[(R)-piperidin-2-yl]acetate (CHEBI:51861) is a methyl phenyl(piperidin-2-yl)acetate (CHEBI:84276)
methyl (S)-phenyl[(R)-piperidin-2-yl]acetate (CHEBI:51861) is enantiomer of methyl (R)-phenyl[(S)-piperidin-2-yl]acetate (CHEBI:51862)
Incoming Relation(s)
methyl (R)-phenyl[(S)-piperidin-2-yl]acetate (CHEBI:51862) is enantiomer of methyl (S)-phenyl[(R)-piperidin-2-yl]acetate (CHEBI:51861)
IUPAC Name 
methyl (2S)-phenyl[(2R)-piperidin-2-yl]acetate
Synonym  Source
methyl (αS,2R)-phenyl-(piperidin-2-yl)acetateChEBI
Registry NumbersSources
Reaxys:6208211Reaxys