1-(2,3-dimethylpiperazin-1-yl)-2-ethylhexan-1-one

C14H28N2O — CID 120613615

IUPAC1-(2,3-dimethylpiperazin-1-yl)-2-ethylhexan-1-one
SMILESCCCCC(CC)C(=O)N1CCNC(C)C1C
InChIInChI=1S/C14H28N2O/c1-5-7-8-13(6-2)14(17)16-10-9-15-11(3)12(16)4/h11-13,15H,5-10H2,1-4H3
InChIKeyIOYMAXNNWAAAQQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.41
Rot. Bonds5

About 1-(2,3-dimethylpiperazin-1-yl)-2-ethylhexan-1-one

1-(2,3-dimethylpiperazin-1-yl)-2-ethylhexan-1-one (PubChem CID 120613615) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperazin-1-yl)-2-ethylhexan-1-one.

Molecular Properties

Compound Name1-(2,3-dimethylpiperazin-1-yl)-2-ethylhexan-1-one
PubChem CID120613615
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(2,3-dimethylpiperazin-1-yl)-2-ethylhexan-1-one
SMILESCCCCC(CC)C(=O)N1CCNC(C)C1C
InChIInChI=1S/C14H28N2O/c1-5-7-8-13(6-2)14(17)16-10-9-15-11(3)12(16)4/h11-13,15H,5-10H2,1-4H3
InChIKeyIOYMAXNNWAAAQQ-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dimethylpiperazin-1-yl)-2-ethylhexan-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-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride
CID 120613613
2-ethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
CID 50999951
3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one
CID 63600640
2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)hexan-1-one
CID 62274579
2,3-dimethylpiperazine-1-carboxylic acid
CID 126753910
1-(2,3-dimethylpiperazin-1-yl)-2-phenylbutan-1-one
CID 120613617
1-(3,5-dimethylpiperazin-1-yl)-2-ethylhexan-1-one
CID 63873271
1-(2,5-diethylpiperazin-1-yl)-2-ethylhexan-1-one
CID 64978358
(2R)-1-(2-ethylhexanoyl)pyrrolidine-2-carboxylic acid
CID 78921934
3-butylsulfanyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120569467
1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-ethylhexan-1-one
CID 113322450
1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one
CID 145133773

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-ethylhexan-1-one?
The IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-ethylhexan-1-one (CID 120613615) is 1-(2,3-dimethylpiperazin-1-yl)-2-ethylhexan-1-one.
What is the SMILES notation for 1-(2,3-dimethylpiperazin-1-yl)-2-ethylhexan-1-one?
The canonical SMILES for 1-(2,3-dimethylpiperazin-1-yl)-2-ethylhexan-1-one is CCCCC(CC)C(=O)N1CCNC(C)C1C.
What is the InChIKey of 1-(2,3-dimethylpiperazin-1-yl)-2-ethylhexan-1-one?
The InChIKey is IOYMAXNNWAAAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-7-8-13(6-2)14(17)16-10-9-15-11(3)12(16)4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 1-(2,3-dimethylpiperazin-1-yl)-2-ethylhexan-1-one?
1-(2,3-dimethylpiperazin-1-yl)-2-ethylhexan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperazin-1-yl)-2-ethylhexan-1-one is sourced from PubChem (CID 120613615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).