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

C14H32N4O — CID 162248891

IUPAC1,4-dimethylpiperazine;methane;1-(4-methylpiperazin-1-yl)ethanone
SMILESC.CC(=O)N1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C7H14N2O.C6H14N2.CH4/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;1H4
InChIKeyZXSFZRJZVDQAJL-UHFFFAOYSA-N
MW272.44 g/mol
LogP0.28
Rot. Bonds

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

1,4-dimethylpiperazine;methane;1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 162248891) has the molecular formula C14H32N4O and a molecular weight of 272.44 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;methane;1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1,4-dimethylpiperazine;methane;1-(4-methylpiperazin-1-yl)ethanone
PubChem CID162248891
Molecular FormulaC14H32N4O
Molecular Weight272.44 g/mol
Exact Mass272.26
IUPAC Name1,4-dimethylpiperazine;methane;1-(4-methylpiperazin-1-yl)ethanone
SMILESC.CC(=O)N1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C7H14N2O.C6H14N2.CH4/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;1H4
InChIKeyZXSFZRJZVDQAJL-UHFFFAOYSA-N
XLogP0.28
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 50.28
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
Butane;1,4-dimethylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1,1,1-trifluoropropane
CID 145207737
1-[4-[2-(Dimethylamino)ethyl]piperazin-1-yl]ethanone
CID 20760526
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-Bis[2-(dimethylamino)ethyl]piperazin-2-one
CID 15173880
1-(4-Ethyl-4-methylpiperazin-4-ium-1-yl)ethanone
CID 20802826

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;methane;1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1,4-dimethylpiperazine;methane;1-(4-methylpiperazin-1-yl)ethanone (CID 162248891) is 1,4-dimethylpiperazine;methane;1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1,4-dimethylpiperazine;methane;1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1,4-dimethylpiperazine;methane;1-(4-methylpiperazin-1-yl)ethanone is C.CC(=O)N1CCN(C)CC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;methane;1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is ZXSFZRJZVDQAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C6H14N2.CH4/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;1H4.
What are the key properties of 1,4-dimethylpiperazine;methane;1-(4-methylpiperazin-1-yl)ethanone?
1,4-dimethylpiperazine;methane;1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 272.44 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;methane;1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 162248891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).