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

C8H15NO2 — CID 54231339

IUPAC6-hydroxy-1,5,5-trimethylpiperidin-2-one
SMILESCN1C(=O)CCC(C)(C)C1O
InChIInChI=1S/C8H15NO2/c1-8(2)5-4-6(10)9(3)7(8)11/h7,11H,4-5H2,1-3H3
InChIKeyQJLZWXJMEUCDJI-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.58
Rot. Bonds

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

6-hydroxy-1,5,5-trimethylpiperidin-2-one (PubChem CID 54231339) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 6-hydroxy-1,5,5-trimethylpiperidin-2-one.

Molecular Properties

Compound Name6-hydroxy-1,5,5-trimethylpiperidin-2-one
PubChem CID54231339
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name6-hydroxy-1,5,5-trimethylpiperidin-2-one
SMILESCN1C(=O)CCC(C)(C)C1O
InChIInChI=1S/C8H15NO2/c1-8(2)5-4-6(10)9(3)7(8)11/h7,11H,4-5H2,1-3H3
InChIKeyQJLZWXJMEUCDJI-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-hydroxy-1,5,5-trimethylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,5,5-trimethylpiperidin-2-one?
The IUPAC name of 6-hydroxy-1,5,5-trimethylpiperidin-2-one (CID 54231339) is 6-hydroxy-1,5,5-trimethylpiperidin-2-one.
What is the SMILES notation for 6-hydroxy-1,5,5-trimethylpiperidin-2-one?
The canonical SMILES for 6-hydroxy-1,5,5-trimethylpiperidin-2-one is CN1C(=O)CCC(C)(C)C1O.
What is the InChIKey of 6-hydroxy-1,5,5-trimethylpiperidin-2-one?
The InChIKey is QJLZWXJMEUCDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2)5-4-6(10)9(3)7(8)11/h7,11H,4-5H2,1-3H3.
What are the key properties of 6-hydroxy-1,5,5-trimethylpiperidin-2-one?
6-hydroxy-1,5,5-trimethylpiperidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,5,5-trimethylpiperidin-2-one is sourced from PubChem (CID 54231339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).