Cyproheptadine

C₂₁H₂₁N — CID 2913

About Cyproheptadine

Cyproheptadine (PubChem CID 2913) has the molecular formula C₂₁H₂₁N and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine.

Molecular Properties

• Compound Name: Cyproheptadine
• PubChem CID: 2913
• Molecular Formula: C₂₁H₂₁N
• Molecular Weight: 287.41 g/mol
• Exact Mass: 287.17
• IUPAC Name: 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine
• SMILES: CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1
• InChI: InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
• InChIKey: JJCFRYNCJDLXIK-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.41
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Cyproheptadine?

The IUPAC name of Cyproheptadine (CID 2913) is 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine.

What is the SMILES notation for Cyproheptadine?

The canonical SMILES for Cyproheptadine is CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1.

What is the InChIKey of Cyproheptadine?

The InChIKey is JJCFRYNCJDLXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3.

What are the key properties of Cyproheptadine?

Cyproheptadine has a molecular weight of 287.41 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Cyproheptadine is sourced from PubChem (CID 2913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2913 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 765 — approved-drug record (CC BY-SA 4.0)

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