1-(4-methylpiperazin-1-yl)ethanone;hydrochloride

C7H15ClN2O — CID 53411727

IUPAC1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCC(=O)N1CCN(C)CC1.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-7(10)9-5-3-8(2)4-6-9;/h3-6H2,1-2H3;1H
InChIKeyMQTVMZTUPOGGGV-UHFFFAOYSA-N
MW178.66 g/mol
LogP0.20
Rot. Bonds

About 1-(4-methylpiperazin-1-yl)ethanone;hydrochloride

1-(4-methylpiperazin-1-yl)ethanone;hydrochloride (PubChem CID 53411727) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
PubChem CID53411727
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Name1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCC(=O)N1CCN(C)CC1.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-7(10)9-5-3-8(2)4-6-9;/h3-6H2,1-2H3;1H
InChIKeyMQTVMZTUPOGGGV-UHFFFAOYSA-N
XLogP0.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1'-(1,4-Piperazinediyl)bis(ethanone)
CID 95851
1-Acetyl-4-methylpiperazine
CID 550758
1,4-Dimethylpiperazine-2,3-dione
CID 322983
1,4-Dimethylpiperazine-2,5-dione
CID 78761
1,1-Dimethyl-4-acetylpiperazinium
CID 4392675
4-Methyl-1-piperazinecarbonyl chloride
CID 3016935
1,1-Dimethyl-4-acetylpiperazinium iodide
CID 5311072
2-Amino-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 2756500
4-Methyl-3-oxopiperazine-1-carbonyl chloride
CID 15582244
4-Methyl-3-oxopiperazine-1-carbonitrile
CID 104185585
2,2,2-Trifluoro-1-(4-methyl-1-piperazinyl)ethanone
CID 3518513
1-(4-Ethylpiperazin-1-yl)ethanone
CID 4305495

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 1-(4-methylpiperazin-1-yl)ethanone;hydrochloride (CID 53411727) is 1-(4-methylpiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)ethanone;hydrochloride is CC(=O)N1CCN(C)CC1.Cl.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is MQTVMZTUPOGGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c1-7(10)9-5-3-8(2)4-6-9;/h3-6H2,1-2H3;1H.
What are the key properties of 1-(4-methylpiperazin-1-yl)ethanone;hydrochloride?
1-(4-methylpiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 178.66 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 53411727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).