2-butyl-3-(2-ethenyl-6-ethylcyclohexyl)-5,6-dimethylpiperidin-4-ol

C₂₁H₃₉NO — CID 155323889

About 2-butyl-3-(2-ethenyl-6-ethylcyclohexyl)-5,6-dimethylpiperidin-4-ol

2-butyl-3-(2-ethenyl-6-ethylcyclohexyl)-5,6-dimethylpiperidin-4-ol (PubChem CID 155323889) has the molecular formula C₂₁H₃₉NO and a molecular weight of 321.55 g/mol. Its IUPAC name is 2-butyl-3-(2-ethenyl-6-ethylcyclohexyl)-5,6-dimethylpiperidin-4-ol.

Molecular Properties

• Compound Name: 2-butyl-3-(2-ethenyl-6-ethylcyclohexyl)-5,6-dimethylpiperidin-4-ol
• PubChem CID: 155323889
• Molecular Formula: C₂₁H₃₉NO
• Molecular Weight: 321.55 g/mol
• Exact Mass: 321.30
• IUPAC Name: 2-butyl-3-(2-ethenyl-6-ethylcyclohexyl)-5,6-dimethylpiperidin-4-ol
• SMILES: C=CC1CCCC(CC)C1C1C(CCCC)NC(C)C(C)C1O
• InChI: InChI=1S/C21H39NO/c1-6-9-13-18-20(21(23)14(4)15(5)22-18)19-16(7-2)11-10-12-17(19)8-3/h7,14-23H,2,6,8-13H2,1,3-5H3
• InChIKey: VEIJWSNVASNNQP-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 32.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.55
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-(2-ethenyl-6-ethylcyclohexyl)-5,6-dimethylpiperidin-4-ol?

The IUPAC name of 2-butyl-3-(2-ethenyl-6-ethylcyclohexyl)-5,6-dimethylpiperidin-4-ol (CID 155323889) is 2-butyl-3-(2-ethenyl-6-ethylcyclohexyl)-5,6-dimethylpiperidin-4-ol.

What is the SMILES notation for 2-butyl-3-(2-ethenyl-6-ethylcyclohexyl)-5,6-dimethylpiperidin-4-ol?

The canonical SMILES for 2-butyl-3-(2-ethenyl-6-ethylcyclohexyl)-5,6-dimethylpiperidin-4-ol is C=CC1CCCC(CC)C1C1C(CCCC)NC(C)C(C)C1O.

What is the InChIKey of 2-butyl-3-(2-ethenyl-6-ethylcyclohexyl)-5,6-dimethylpiperidin-4-ol?

The InChIKey is VEIJWSNVASNNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO/c1-6-9-13-18-20(21(23)14(4)15(5)22-18)19-16(7-2)11-10-12-17(19)8-3/h7,14-23H,2,6,8-13H2,1,3-5H3.

What are the key properties of 2-butyl-3-(2-ethenyl-6-ethylcyclohexyl)-5,6-dimethylpiperidin-4-ol?

2-butyl-3-(2-ethenyl-6-ethylcyclohexyl)-5,6-dimethylpiperidin-4-ol has a molecular weight of 321.55 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butyl-3-(2-ethenyl-6-ethylcyclohexyl)-5,6-dimethylpiperidin-4-ol is sourced from PubChem (CID 155323889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155323889 — identifiers, structure, computed properties (public domain)

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