1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone

C13H28N4O — CID 161221277

IUPAC1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C7H14N2O.C6H14N2/c1-7(10)9-5-3-8(2)4-6-9;1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3;3-6H2,1-2H3
InChIKeyUXNUDEHMHDIJKZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.36
Rot. Bonds

About 1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone

1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 161221277) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone
PubChem CID161221277
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C7H14N2O.C6H14N2/c1-7(10)9-5-3-8(2)4-6-9;1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3;3-6H2,1-2H3
InChIKeyUXNUDEHMHDIJKZ-UHFFFAOYSA-N
XLogP-0.36
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-Dimethyl-4-acetylpiperazinium
CID 4392675
Icrf 158
CID 97592
1,1-Dimethyl-4-acetylpiperazinium iodide
CID 5311072
1,2-Bis(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 515617
1-(4-Ethylpiperazin-1-yl)ethanone
CID 4305495
1,4-Diethylpiperazin-2-one
CID 581342
1-[4-[2-(Dimethylamino)ethyl]piperazin-1-yl]ethanone
CID 20760526
1-(4-Propylpiperazin-1-yl)ethan-1-one
CID 20825660
1-[4-[2-(4-Acetylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
CID 85937025
1-(4-Acetyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)ethanone
CID 134945833
1-(4-Aza-1-azoniabicyclo[2.2.2]octan-1-yl)ethanone
CID 134945933
1-[4-[2-[Fluoromethyl(methyl)amino]ethyl]piperazin-1-yl]ethanone
CID 168923236

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone (CID 161221277) is 1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone is CC(=O)N1CCN(C)CC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is UXNUDEHMHDIJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C6H14N2/c1-7(10)9-5-3-8(2)4-6-9;1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3;3-6H2,1-2H3.
What are the key properties of 1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone?
1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 256.39 g/mol, XLogP of -0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 161221277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).