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CHEBI:51857 - methyl (S)-phenyl[(S)-piperidin-2-yl]acetate

ChEBI IDCHEBI:51857
ChEBI Namemethyl (S)-phenyl[(S)-piperidin-2-yl]acetate
Stars
ASCII Namemethyl (S)-phenyl[(S)-piperidin-2-yl]acetate
DefinitionA methyl phenyl(piperidin-2-yl)acetate in which both stereocentres have S configuration. It is the inactive enantiomer in the racemic drug methylphenidate.
Last Modified13 January 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC14H19NO2
Net Charge0
Average Mass233.311
Monoisotopic Mass233.14158
SMILES[H][C@](C(=O)OC)(c1ccccc1)[C@]1([H])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-/m0/s1
InChIKeyDUGOZIWVEXMGBE-STQMWFEESA-N
ChEBI Ontology
Outgoing Relation(s)
methyl (S)-phenyl[(S)-piperidin-2-yl]acetate (CHEBI:51857) is a methyl phenyl(piperidin-2-yl)acetate (CHEBI:84276)
methyl (S)-phenyl[(S)-piperidin-2-yl]acetate (CHEBI:51857) is enantiomer of dexmethylphenidate (CHEBI:51860)
Incoming Relation(s)
methylphenidate (CHEBI:6887) has part methyl (S)-phenyl[(S)-piperidin-2-yl]acetate (CHEBI:51857)
dexmethylphenidate (CHEBI:51860) is enantiomer of methyl (S)-phenyl[(S)-piperidin-2-yl]acetate (CHEBI:51857)
Synonym  Source
methyl (2S)-phenyl[(2S)-piperidin-2-yl]acetateChEBI
Registry NumbersSources
Beilstein:6116308Beilstein