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

C13H27NO2 — CID 4055982

IUPAC4-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCCCCC1(O)CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C13H27NO2/c1-6-7-8-13(15)9-11(2,3)14(16)12(4,5)10-13/h15-16H,6-10H2,1-5H3
InChIKeyXQTRXLFGGPLUMX-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.95
Rot. Bonds3

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

4-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 4055982) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name4-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID4055982
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCCCCC1(O)CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C13H27NO2/c1-6-7-8-13(15)9-11(2,3)14(16)12(4,5)10-13/h15-16H,6-10H2,1-5H3
InChIKeyXQTRXLFGGPLUMX-UHFFFAOYSA-N
XLogP2.95
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 4-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol (CID 4055982) is 4-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 4-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 4-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol is CCCCC1(O)CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 4-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is XQTRXLFGGPLUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-6-7-8-13(15)9-11(2,3)14(16)12(4,5)10-13/h15-16H,6-10H2,1-5H3.
What are the key properties of 4-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
4-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 229.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 4055982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).