4-hydroxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one

C12H23NO2 — CID 114597476

IUPAC4-hydroxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
SMILESCC1CC(C)C(C)N(C(=O)CCCO)C1
InChIInChI=1S/C12H23NO2/c1-9-7-10(2)11(3)13(8-9)12(15)5-4-6-14/h9-11,14H,4-8H2,1-3H3
InChIKeyFPFBBAGKOHUCPR-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.65
Rot. Bonds3

About 4-hydroxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one

4-hydroxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one (PubChem CID 114597476) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-hydroxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
PubChem CID114597476
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-hydroxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
SMILESCC1CC(C)C(C)N(C(=O)CCCO)C1
InChIInChI=1S/C12H23NO2/c1-9-7-10(2)11(3)13(8-9)12(15)5-4-6-14/h9-11,14H,4-8H2,1-3H3
InChIKeyFPFBBAGKOHUCPR-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-hydroxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(2,3,5-trimethylpiperidin-1-yl)butane-1,3-dione
CID 114593177
ethyl 2,3,5-trimethylpiperidine-1-carboxylate
CID 114597475
4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114594600
2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid
CID 114594573
2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114597477
3-(3-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114591852
2-(3-aminocyclohexyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114597345
2-piperidin-4-ylsulfanyl-1-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114628152
3-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
CID 114593024
5-bromo-1-(2,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 107910664
2-(2-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114591829
2-amino-5-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)pentan-1-one
CID 114593016

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one?
The IUPAC name of 4-hydroxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one (CID 114597476) is 4-hydroxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4-hydroxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 4-hydroxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one is CC1CC(C)C(C)N(C(=O)CCCO)C1.
What is the InChIKey of 4-hydroxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one?
The InChIKey is FPFBBAGKOHUCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-7-10(2)11(3)13(8-9)12(15)5-4-6-14/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 4-hydroxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one?
4-hydroxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one has a molecular weight of 213.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 114597476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).