1-ethyl-4-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone

C14H30N4O — CID 158005952

IUPAC1-ethyl-4-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C)CC1.CCN1CCN(C)CC1
InChIInChI=1S/C7H14N2O.C7H16N2/c1-7(10)9-5-3-8(2)4-6-9;1-3-9-6-4-8(2)5-7-9/h3-6H2,1-2H3;3-7H2,1-2H3
InChIKeyFEHILDLUUARBEJ-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.03
Rot. Bonds1

About 1-ethyl-4-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone

1-ethyl-4-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 158005952) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-ethyl-4-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-ethyl-4-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone
PubChem CID158005952
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name1-ethyl-4-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C)CC1.CCN1CCN(C)CC1
InChIInChI=1S/C7H14N2O.C7H16N2/c1-7(10)9-5-3-8(2)4-6-9;1-3-9-6-4-8(2)5-7-9/h3-6H2,1-2H3;3-7H2,1-2H3
InChIKeyFEHILDLUUARBEJ-UHFFFAOYSA-N
XLogP0.03
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.03
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-ethyl-4-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-ethyl-4-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone (CID 158005952) is 1-ethyl-4-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-ethyl-4-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-ethyl-4-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone is CC(=O)N1CCN(C)CC1.CCN1CCN(C)CC1.
What is the InChIKey of 1-ethyl-4-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is FEHILDLUUARBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C7H16N2/c1-7(10)9-5-3-8(2)4-6-9;1-3-9-6-4-8(2)5-7-9/h3-6H2,1-2H3;3-7H2,1-2H3.
What are the key properties of 1-ethyl-4-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone?
1-ethyl-4-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 270.42 g/mol, XLogP of 0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 158005952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).