1-hydroxy-5,5,6-trimethylpiperidin-2-one

C8H15NO2 — CID 102314658

IUPAC1-hydroxy-5,5,6-trimethylpiperidin-2-one
SMILESCC1N(O)C(=O)CCC1(C)C
InChIInChI=1S/C8H15NO2/c1-6-8(2,3)5-4-7(10)9(6)11/h6,11H,4-5H2,1-3H3
InChIKeyDQSXQJOAOAGREF-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.41
Rot. Bonds

About 1-hydroxy-5,5,6-trimethylpiperidin-2-one

1-hydroxy-5,5,6-trimethylpiperidin-2-one (PubChem CID 102314658) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-hydroxy-5,5,6-trimethylpiperidin-2-one.

Molecular Properties

Compound Name1-hydroxy-5,5,6-trimethylpiperidin-2-one
PubChem CID102314658
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-hydroxy-5,5,6-trimethylpiperidin-2-one
SMILESCC1N(O)C(=O)CCC1(C)C
InChIInChI=1S/C8H15NO2/c1-6-8(2,3)5-4-7(10)9(6)11/h6,11H,4-5H2,1-3H3
InChIKeyDQSXQJOAOAGREF-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-1,5,5-trimethylpiperidin-2-one
CID 54231339
(5R)-1-hydroxy-5-methylpyrrolidin-2-one
CID 56612622
2,3,3-trimethylcyclopentan-1-one
CID 12842713
1-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 22973498
1-acetyl-5,5-dimethylpyrrolidin-2-one
CID 144885705
1,5-dihydroxy-5-methylpiperidin-2-one
CID 13423496
ethane;2,2,3,4,4-pentamethylcyclohexan-1-one
CID 144627113
1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrrolidine-2,5-dione
CID 22089041
methyl 2,2-dimethyl-5-oxopyrrolidine-1-carboxylate
CID 45122962
1-[(2R)-2-hydroxypropyl]-5,5-dimethylazepan-2-one
CID 103935407
1-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one
CID 140856572
5,5-diethyl-1-propanoylpyrrolidin-2-one
CID 18325720

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5,5,6-trimethylpiperidin-2-one?
The IUPAC name of 1-hydroxy-5,5,6-trimethylpiperidin-2-one (CID 102314658) is 1-hydroxy-5,5,6-trimethylpiperidin-2-one.
What is the SMILES notation for 1-hydroxy-5,5,6-trimethylpiperidin-2-one?
The canonical SMILES for 1-hydroxy-5,5,6-trimethylpiperidin-2-one is CC1N(O)C(=O)CCC1(C)C.
What is the InChIKey of 1-hydroxy-5,5,6-trimethylpiperidin-2-one?
The InChIKey is DQSXQJOAOAGREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-8(2,3)5-4-7(10)9(6)11/h6,11H,4-5H2,1-3H3.
What are the key properties of 1-hydroxy-5,5,6-trimethylpiperidin-2-one?
1-hydroxy-5,5,6-trimethylpiperidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5,5,6-trimethylpiperidin-2-one is sourced from PubChem (CID 102314658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).