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

C11H21NO2 — CID 130533571

IUPAC3-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-2-one
SMILESCC(=O)C(C)N1CCC(O)C(C)(C)C1
InChIInChI=1S/C11H21NO2/c1-8(9(2)13)12-6-5-10(14)11(3,4)7-12/h8,10,14H,5-7H2,1-4H3
InChIKeyICIYFILLNAHEAO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.06
Rot. Bonds2

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

3-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-2-one (PubChem CID 130533571) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-2-one.

Molecular Properties

Compound Name3-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-2-one
PubChem CID130533571
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-2-one
SMILESCC(=O)C(C)N1CCC(O)C(C)(C)C1
InChIInChI=1S/C11H21NO2/c1-8(9(2)13)12-6-5-10(14)11(3,4)7-12/h8,10,14H,5-7H2,1-4H3
InChIKeyICIYFILLNAHEAO-UHFFFAOYSA-N
XLogP1.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-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

Related Compounds

2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)but-3-enoic acid
CID 130533557
3-(4-methylpiperidin-1-yl)butan-2-one
CID 43228138
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-carbamoylpropanamide
CID 120776742
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120776079
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide
CID 120775751
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N,N-diethylpropanamide;hydrochloride
CID 120774556
methyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
CID 115269670
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 120775612
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-5-methylhexan-1-one
CID 115276540
3-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)butan-2-one
CID 130731279
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-phenylpropanamide;hydrochloride
CID 120775307
3-(3,4-dimethylpyrrolidin-1-yl)butan-2-one
CID 79189312

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-2-one?
The IUPAC name of 3-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-2-one (CID 130533571) is 3-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-2-one.
What is the SMILES notation for 3-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-2-one?
The canonical SMILES for 3-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-2-one is CC(=O)C(C)N1CCC(O)C(C)(C)C1.
What is the InChIKey of 3-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-2-one?
The InChIKey is ICIYFILLNAHEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(9(2)13)12-6-5-10(14)11(3,4)7-12/h8,10,14H,5-7H2,1-4H3.
What are the key properties of 3-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-2-one?
3-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-2-one is sourced from PubChem (CID 130533571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).