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

C13H27NO — CID 12860001

IUPAC4-butyl-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCCCCC1(O)CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H27NO/c1-6-7-8-13(15)9-11(2,3)14-12(4,5)10-13/h14-15H,6-10H2,1-5H3
InChIKeyWGEMFFFUFBNCGW-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.85
Rot. Bonds3

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

4-butyl-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 12860001) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-butyl-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name4-butyl-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID12860001
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-butyl-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCCCCC1(O)CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H27NO/c1-6-7-8-13(15)9-11(2,3)14-12(4,5)10-13/h14-15H,6-10H2,1-5H3
InChIKeyWGEMFFFUFBNCGW-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 4-butyl-2,2,6,6-tetramethylpiperidin-4-ol (CID 12860001) is 4-butyl-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 4-butyl-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 4-butyl-2,2,6,6-tetramethylpiperidin-4-ol is CCCCC1(O)CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4-butyl-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is WGEMFFFUFBNCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-7-8-13(15)9-11(2,3)14-12(4,5)10-13/h14-15H,6-10H2,1-5H3.
What are the key properties of 4-butyl-2,2,6,6-tetramethylpiperidin-4-ol?
4-butyl-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 213.36 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 12860001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).