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

C21H39NO — CID 155323889

IUPAC2-butyl-3-(2-ethenyl-6-ethylcyclohexyl)-5,6-dimethylpiperidin-4-ol
SMILESC=CC1CCCC(CC)C1C1C(CCCC)NC(C)C(C)C1O
InChIInChI=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
InChIKeyVEIJWSNVASNNQP-UHFFFAOYSA-N
MW321.55 g/mol
LogP4.78
Rot. Bonds6

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 Name2-butyl-3-(2-ethenyl-6-ethylcyclohexyl)-5,6-dimethylpiperidin-4-ol
PubChem CID155323889
Molecular FormulaC21H39NO
Molecular Weight321.55 g/mol
Exact Mass321.30
IUPAC Name2-butyl-3-(2-ethenyl-6-ethylcyclohexyl)-5,6-dimethylpiperidin-4-ol
SMILESC=CC1CCCC(CC)C1C1C(CCCC)NC(C)C(C)C1O
InChIInChI=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
InChIKeyVEIJWSNVASNNQP-UHFFFAOYSA-N
XLogP4.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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).