Dyclonine

C₁₈H₂₇NO₂ — CID 3180

About Dyclonine

Dyclonine (PubChem CID 3180) has the molecular formula C₁₈H₂₇NO₂ and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

• Compound Name: Dyclonine
• PubChem CID: 3180
• Molecular Formula: C₁₈H₂₇NO₂
• Molecular Weight: 289.42 g/mol
• Exact Mass: 289.20
• IUPAC Name: 1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one
• SMILES: CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1
• InChI: InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3
• InChIKey: BZEWSEKUUPWQDQ-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 29.54 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.42
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Dyclonine?

The IUPAC name of Dyclonine (CID 3180) is 1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one.

What is the SMILES notation for Dyclonine?

The canonical SMILES for Dyclonine is CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1.

What is the InChIKey of Dyclonine?

The InChIKey is BZEWSEKUUPWQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3.

What are the key properties of Dyclonine?

Dyclonine has a molecular weight of 289.42 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Dyclonine is sourced from PubChem (CID 3180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3180 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 974 — approved-drug record (CC BY-SA 4.0)

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