methylphenidate

Ligand id: 7236

Name: methylphenidate

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 38.33
Molecular weight 233.14
XLogP 4.22
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1955))
IUPAC Name
methyl 2-phenyl-2-(piperidin-2-yl)acetate
International Nonproprietary Names
INN number INN
485 methylphenidate
Synonyms
Concerta® | Ritalin®
Database Links
CAS Registry No. 13-45-1
ChEMBL Ligand CHEMBL796
DrugBank Ligand DB00422
PubChem CID 4158
Search Google for chemical match using the InChIKey DUGOZIWVEXMGBE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DUGOZIWVEXMGBE
Search PubMed clinical trials methylphenidate
Search PubMed titles methylphenidate
Search PubMed titles/abstracts methylphenidate
Search UniChem for chemical match using the InChIKey DUGOZIWVEXMGBE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DUGOZIWVEXMGBE
Wikipedia Methylphenidate
Comments
Methylphenidate is a racemic mixture of optical isomers (enantiomers). We show the chemical structure without specified stereochemistry to represent the mixture. The most active (R,R) enantiomer is the approved drug dexmethylphenidate. Methylphenidate is administered as the hydrochloride salt (PubChem CID 9280).