6-(3,5-dimethylpiperidin-1-yl)hexan-3-one

C13H25NO — CID 106801147

IUPAC6-(3,5-dimethylpiperidin-1-yl)hexan-3-one
SMILESCCC(=O)CCCN1CC(C)CC(C)C1
InChIInChI=1S/C13H25NO/c1-4-13(15)6-5-7-14-9-11(2)8-12(3)10-14/h11-12H,4-10H2,1-3H3
InChIKeyYTIIJVABIREGML-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds5

About 6-(3,5-dimethylpiperidin-1-yl)hexan-3-one

6-(3,5-dimethylpiperidin-1-yl)hexan-3-one (PubChem CID 106801147) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperidin-1-yl)hexan-3-one.

Molecular Properties

Compound Name6-(3,5-dimethylpiperidin-1-yl)hexan-3-one
PubChem CID106801147
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name6-(3,5-dimethylpiperidin-1-yl)hexan-3-one
SMILESCCC(=O)CCCN1CC(C)CC(C)C1
InChIInChI=1S/C13H25NO/c1-4-13(15)6-5-7-14-9-11(2)8-12(3)10-14/h11-12H,4-10H2,1-3H3
InChIKeyYTIIJVABIREGML-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(3,5-dimethylpiperidin-1-yl)hexan-3-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

6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-3-one
CID 106801549
6-(3-aminopyrrolidin-1-yl)hexan-3-one
CID 106801405
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 70842274
1-(9-bromononyl)-3,5-dimethylpiperidine
CID 105343565
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)hexan-3-one
CID 106801203
6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one
CID 106801418
5-methyl-1-propylpiperidine-3-carboxylic acid
CID 130942470
2-(3,5-dimethylpiperidin-1-yl)ethanol
CID 43394133
5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805593
3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonyl chloride
CID 112594595
3-(3,5-dimethylpiperidin-1-yl)propane-1-sulfonamide
CID 115608707
4-(3-methylazetidin-1-yl)butan-1-ol
CID 106844124

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)hexan-3-one?
The IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)hexan-3-one (CID 106801147) is 6-(3,5-dimethylpiperidin-1-yl)hexan-3-one.
What is the SMILES notation for 6-(3,5-dimethylpiperidin-1-yl)hexan-3-one?
The canonical SMILES for 6-(3,5-dimethylpiperidin-1-yl)hexan-3-one is CCC(=O)CCCN1CC(C)CC(C)C1.
What is the InChIKey of 6-(3,5-dimethylpiperidin-1-yl)hexan-3-one?
The InChIKey is YTIIJVABIREGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-13(15)6-5-7-14-9-11(2)8-12(3)10-14/h11-12H,4-10H2,1-3H3.
What are the key properties of 6-(3,5-dimethylpiperidin-1-yl)hexan-3-one?
6-(3,5-dimethylpiperidin-1-yl)hexan-3-one has a molecular weight of 211.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperidin-1-yl)hexan-3-one is sourced from PubChem (CID 106801147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).