3-(4-methylpiperidin-1-yl)butan-2-one

C10H19NO — CID 43228138

IUPAC3-(4-methylpiperidin-1-yl)butan-2-one
SMILESCC(=O)C(C)N1CCC(C)CC1
InChIInChI=1S/C10H19NO/c1-8-4-6-11(7-5-8)9(2)10(3)12/h8-9H,4-7H2,1-3H3
InChIKeyXCLIBGINSKEPOI-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds2

About 3-(4-methylpiperidin-1-yl)butan-2-one

3-(4-methylpiperidin-1-yl)butan-2-one (PubChem CID 43228138) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)butan-2-one.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)butan-2-one
PubChem CID43228138
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(4-methylpiperidin-1-yl)butan-2-one
SMILESCC(=O)C(C)N1CCC(C)CC1
InChIInChI=1S/C10H19NO/c1-8-4-6-11(7-5-8)9(2)10(3)12/h8-9H,4-7H2,1-3H3
InChIKeyXCLIBGINSKEPOI-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-methylpiperidin-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

3-(3,4-dimethylpyrrolidin-1-yl)butan-2-one
CID 79189312
1-(4-aminopiperidin-1-yl)-2-(4-methylpiperidin-1-yl)propan-1-one
CID 82042068
3-(4-hydroxy-3,3-dimethylpiperidin-1-yl)butan-2-one
CID 130533571
N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 46614180
4-methyl-1-propan-2-ylpiperidine;sulfur dioxide
CID 161459747
N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 86918794
1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one
CID 43228135
2-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 63622992
3-methyl-2-(4-methylpiperidin-1-yl)butanehydrazide
CID 43906589
3-(3-azabicyclo[3.3.1]nonan-3-yl)butan-2-one
CID 130479749
(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 90447182
1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908292

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)butan-2-one?
The IUPAC name of 3-(4-methylpiperidin-1-yl)butan-2-one (CID 43228138) is 3-(4-methylpiperidin-1-yl)butan-2-one.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)butan-2-one?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)butan-2-one is CC(=O)C(C)N1CCC(C)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)butan-2-one?
The InChIKey is XCLIBGINSKEPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8-4-6-11(7-5-8)9(2)10(3)12/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)butan-2-one?
3-(4-methylpiperidin-1-yl)butan-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)butan-2-one is sourced from PubChem (CID 43228138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).