Molecular Identity
Methylphenidate
methyl 2-phenyl-2-piperidin-2-ylacetate
PubChem CID: 4158
Methyl phenyl(piperidin-2-yl)acetate is a amino acid ester that is methyl phenylacetate in which one of the hydrogens alpha to the carbonyl group is replaced by a piperidin-2-yl group. It is a methyl ester, a member of piperidines and a beta-amino acid ester.
2D Structure
Properties
C14H19NO2
Molecular Formula
233.31
Molecular Weight
g/mol
233.1416
Exact Mass
Da
0.2
XLogP
Drug-like (Lipinski: < 5)
38.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
249
Complexity
SMILES
Canonical SMILES
SMILES: COC(=O)C(C1CCCCN1)C2=CC=CC=C2Isomeric SMILES
SMILES: COC(=O)C(C1CCCCN1)C2=CC=CC=C2Synonyms(20)
methylphenidateMethylphenidanPhenidylateCalocain113-45-1PlimasineMethyl phenidylacetateMetilfenidatoMethylphenidatumMethyl phenidate4311/B CibaDaytranaalpha-Phenyl-2-piperidineacetic acid methyl esterMethyl alpha-phenyl-alpha-(2-piperidyl)acetateNCI-C56280
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Methylphenidate
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