Methylphenidate

C₁₄H₁₉NO₂ — CID 4158

About Methylphenidate

Methylphenidate (PubChem CID 4158) has the molecular formula C₁₄H₁₉NO₂ and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-phenyl-2-piperidin-2-ylacetate.

Molecular Properties

• Compound Name: Methylphenidate
• PubChem CID: 4158
• Molecular Formula: C₁₄H₁₉NO₂
• Molecular Weight: 233.31 g/mol
• Exact Mass: 233.14
• IUPAC Name: methyl 2-phenyl-2-piperidin-2-ylacetate
• SMILES: COC(=O)C(c1ccccc1)C1CCCCN1
• 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
• XLogP: 2.09
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	233.31
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Methylphenidate?

The IUPAC name of Methylphenidate (CID 4158) is methyl 2-phenyl-2-piperidin-2-ylacetate.

What is the SMILES notation for Methylphenidate?

The canonical SMILES for Methylphenidate is COC(=O)C(c1ccccc1)C1CCCCN1.

What is the InChIKey of Methylphenidate?

The InChIKey is DUGOZIWVEXMGBE-UHFFFAOYSA-N. The full InChI is 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.

What are the key properties of Methylphenidate?

Methylphenidate has a molecular weight of 233.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Methylphenidate is sourced from PubChem (CID 4158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4158 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1767 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.