4-hexyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol

C15H31NO2 — CID 574669

IUPAC4-hexyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCCCCCCC1(O)CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C15H31NO2/c1-6-7-8-9-10-15(17)11-13(2,3)16(18)14(4,5)12-15/h17-18H,6-12H2,1-5H3
InChIKeyBGSMSTTVUBTSLL-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.73
Rot. Bonds5

About 4-hexyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol

4-hexyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 574669) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-hexyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name4-hexyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID574669
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name4-hexyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCCCCCCC1(O)CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C15H31NO2/c1-6-7-8-9-10-15(17)11-13(2,3)16(18)14(4,5)12-15/h17-18H,6-12H2,1-5H3
InChIKeyBGSMSTTVUBTSLL-UHFFFAOYSA-N
XLogP3.73
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hexyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 4-hexyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol (CID 574669) is 4-hexyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 4-hexyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 4-hexyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol is CCCCCCC1(O)CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 4-hexyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is BGSMSTTVUBTSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-6-7-8-9-10-15(17)11-13(2,3)16(18)14(4,5)12-15/h17-18H,6-12H2,1-5H3.
What are the key properties of 4-hexyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
4-hexyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 257.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 574669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).