CHEBI:84276 - methyl phenyl(piperidin-2-yl)acetate

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ChEBI Name methyl phenyl(piperidin-2-yl)acetate
ChEBI ID CHEBI:84276
Definition A amino acid ester that is methyl phenylacetate in which one of the hydrogens α to the carbonyl group is replaced by a piperidin-2-yl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H19NO2
Net Charge 0
Average Mass 233.30620
Monoisotopic Mass 233.142
InChI InChI=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
InChIKey DUGOZIWVEXMGBE-UHFFFAOYSA-N
SMILES COC(=O)C(C1CCCCN1)c1ccccc1
ChEBI Ontology
Outgoing methyl phenyl(piperidin-2-yl)acetate (CHEBI:84276) is a β-amino acid ester (CHEBI:85139)
methyl phenyl(piperidin-2-yl)acetate (CHEBI:84276) is a methyl ester (CHEBI:25248)
methyl phenyl(piperidin-2-yl)acetate (CHEBI:84276) is a piperidines (CHEBI:26151)
Incoming dexmethylphenidate (CHEBI:51860) is a methyl phenyl(piperidin-2-yl)acetate (CHEBI:84276)
methyl (R)-phenyl[(S)-piperidin-2-yl]acetate (CHEBI:51862) is a methyl phenyl(piperidin-2-yl)acetate (CHEBI:84276)
methyl (S)-phenyl[(R)-piperidin-2-yl]acetate (CHEBI:51861) is a methyl phenyl(piperidin-2-yl)acetate (CHEBI:84276)
methyl (S)-phenyl[(S)-piperidin-2-yl]acetate (CHEBI:51857) is a methyl phenyl(piperidin-2-yl)acetate (CHEBI:84276)
IUPAC Name
methyl phenyl(piperidin-2-yl)acetate
Synonyms Sources
α-phenyl-2-piperidineacetic acid methyl ester NIST Chemistry WebBook
methyl α-phenyl-α-(2-piperidyl)acetate NIST Chemistry WebBook
methyl α-phenyl-α-2-piperidinylacetate NIST Chemistry WebBook
methyl phenidylacetate ChemIDplus
methylphenidan ChemIDplus
Last Modified
11 March 2015
General Comment
2015-01-13 This is the the entry for material with unspecified stereochemistry. There are separate entries for the individual stereoisomers {dexmethylphenidate, methyl (R)-phenyl[(S)-piperidin-2-yl]acetate, methyl (S)-phenyl[(R)-piperidin-2-yl]acetate, and methyl (S)-phenyl[(S)-piperidin-2-yl]acetate}, and for the threo racemate (methylphenidate).