1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-one

C9H18NO2+ — CID 22089044

IUPAC1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-one
SMILESCC1(C)CC(=O)CC(C)(C)[NH+]1O
InChIInChI=1S/C9H17NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h12H,5-6H2,1-4H3/p+1
InChIKeyKMEUSKGEUADGET-UHFFFAOYSA-O
MW172.25 g/mol
LogP0.18
Rot. Bonds

About 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-one

1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-one (PubChem CID 22089044) has the molecular formula C9H18NO2+ and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-one.

Molecular Properties

Compound Name1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-one
PubChem CID22089044
Molecular FormulaC9H18NO2+
Molecular Weight172.25 g/mol
Exact Mass172.13
IUPAC Name1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-one
SMILESCC1(C)CC(=O)CC(C)(C)[NH+]1O
InChIInChI=1S/C9H17NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h12H,5-6H2,1-4H3/p+1
InChIKeyKMEUSKGEUADGET-UHFFFAOYSA-O
XLogP0.18
TPSA41.74 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,6,6-Tetramethyl-4-piperidone
CID 13220
Tempone
CID 520789
4-Piperidinone, 2,2,6,6-tetramethyl-, hydrochloride (1:1)
CID 94452
1-Hydroxy-2,2,6,6-tetramethyl-4-oxopiperidine
CID 98642
4-Piperidinone, 2,2,6,6-tetramethyl-, monohydrate
CID 22397602
2,2,6,6-Tetramethyl(~15~N)piperidin-4-one
CID 10888153
1-Hydroxy-2,2,6,6-tetramethylpiperidin-4-one hydrochloride
CID 2733527
4-Piperidinone, 2,2,6,6-tetramethyl-, sulfate (1:1)
CID 44149755
2,2,6,6-Tetramethyl-4-oxopiperidinium nitrate
CID 129746723
2,2,6,6-Tetramethyl-4-piperidinone 1-oxide
CID 12610996
Teepone
CID 68740914
4-Oxo-,2,2,6,6-tetramethylpiperidine-d16-1-oxyl
CID 54001881

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-one?
The IUPAC name of 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-one (CID 22089044) is 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-one.
What is the SMILES notation for 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-one?
The canonical SMILES for 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-one is CC1(C)CC(=O)CC(C)(C)[NH+]1O.
What is the InChIKey of 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-one?
The InChIKey is KMEUSKGEUADGET-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H17NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h12H,5-6H2,1-4H3/p+1.
What are the key properties of 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-one?
1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-one has a molecular weight of 172.25 g/mol, XLogP of 0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-one is sourced from PubChem (CID 22089044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).