1-(2,3-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride

C12H25ClN2O — CID 120613613

IUPAC1-(2,3-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride
SMILESCCC(CC)C(=O)N1CCNC(C)C1C.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-5-11(6-2)12(15)14-8-7-13-9(3)10(14)4;/h9-11,13H,5-8H2,1-4H3;1H
InChIKeyRJJVIQQWWAZQIM-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.05
Rot. Bonds3

About 1-(2,3-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride

1-(2,3-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride (PubChem CID 120613613) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride
PubChem CID120613613
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name1-(2,3-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride
SMILESCCC(CC)C(=O)N1CCNC(C)C1C.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-5-11(6-2)12(15)14-8-7-13-9(3)10(14)4;/h9-11,13H,5-8H2,1-4H3;1H
InChIKeyRJJVIQQWWAZQIM-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride 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-ethylhexan-1-one
CID 120613615
2,3-dimethylpiperazine-1-carboxylic acid
CID 126753910
1-(2,3-dimethylpiperazin-1-yl)-2-phenylbutan-1-one
CID 120613617
2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 82756442
5-(2,3-dimethylpiperazin-1-yl)-N,N-diethyl-5-oxopentanamide;hydrochloride
CID 120571955
4-(2-ethylbutanoyl)-3-methylpiperazin-2-one
CID 63606068
1-(2,3-dimethylpiperazin-1-yl)-4-methoxybutan-1-one;hydrochloride
CID 120570561
2-cycloheptyl-1-(2,3-dimethylpiperazin-1-yl)ethanone;hydrochloride
CID 120572102
3-butylsulfanyl-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120569467
1-(2,3-dimethylpiperazin-1-yl)-2-propylsulfonylethanone
CID 120572516
(E)-1-(2,3-dimethylpiperazin-1-yl)but-2-en-1-one
CID 131233400
1-(2,3-dimethylpiperazin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride
CID 120571034

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride?
The IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride (CID 120613613) is 1-(2,3-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-(2,3-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride?
The canonical SMILES for 1-(2,3-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride is CCC(CC)C(=O)N1CCNC(C)C1C.Cl.
What is the InChIKey of 1-(2,3-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride?
The InChIKey is RJJVIQQWWAZQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-5-11(6-2)12(15)14-8-7-13-9(3)10(14)4;/h9-11,13H,5-8H2,1-4H3;1H.
What are the key properties of 1-(2,3-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride?
1-(2,3-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.05, 3 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-ethylbutan-1-one;hydrochloride is sourced from PubChem (CID 120613613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).