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

C7H14N2O — CID 550758

IUPAC1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C)CC1
InChIInChI=1S/C7H14N2O/c1-7(10)9-5-3-8(2)4-6-9/h3-6H2,1-2H3
InChIKeyYSDBJKNOEWSFGA-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.22
Rot. Bonds

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

1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 550758) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)ethanone
PubChem CID550758
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C)CC1
InChIInChI=1S/C7H14N2O/c1-7(10)9-5-3-8(2)4-6-9/h3-6H2,1-2H3
InChIKeyYSDBJKNOEWSFGA-UHFFFAOYSA-N
XLogP-0.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

formaldehyde;methane;1-(4-methylpiperazin-1-yl)ethanone
CID 143691065
N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone
CID 160870034
ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 142979179
ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
CID 178104636
methyl 4-acetylpiperazine-1-sulfinate;1-(4-methylpiperazin-1-yl)ethanone
CID 91394347
4-methylpiperazine-1-carboxylic acid;hydrochloride
CID 70630580
1-(azetidin-1-yl)ethanone
CID 14061673
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3360236
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3485569
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 158455362
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 117068106

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)ethanone (CID 550758) is 1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)ethanone is CC(=O)N1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is YSDBJKNOEWSFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-7(10)9-5-3-8(2)4-6-9/h3-6H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)ethanone?
1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 142.20 g/mol, XLogP of -0.22, 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 is sourced from PubChem (CID 550758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).