ethane;1-(4-methylpiperazin-1-yl)hexane-1,4-dione

C13H26N2O2 — CID 176683530

IUPACethane;1-(4-methylpiperazin-1-yl)hexane-1,4-dione
SMILESCC.CCC(=O)CCC(=O)N1CCN(C)CC1
InChIInChI=1S/C11H20N2O2.C2H6/c1-3-10(14)4-5-11(15)13-8-6-12(2)7-9-13;1-2/h3-9H2,1-2H3;1-2H3
InChIKeyYKUPJOUYRPDWEW-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.55
Rot. Bonds4

About ethane;1-(4-methylpiperazin-1-yl)hexane-1,4-dione

ethane;1-(4-methylpiperazin-1-yl)hexane-1,4-dione (PubChem CID 176683530) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethane;1-(4-methylpiperazin-1-yl)hexane-1,4-dione.

Molecular Properties

Compound Nameethane;1-(4-methylpiperazin-1-yl)hexane-1,4-dione
PubChem CID176683530
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethane;1-(4-methylpiperazin-1-yl)hexane-1,4-dione
SMILESCC.CCC(=O)CCC(=O)N1CCN(C)CC1
InChIInChI=1S/C11H20N2O2.C2H6/c1-3-10(14)4-5-11(15)13-8-6-12(2)7-9-13;1-2/h3-9H2,1-2H3;1-2H3
InChIKeyYKUPJOUYRPDWEW-UHFFFAOYSA-N
XLogP1.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperazin-1-yl)hexan-1-one
CID 3470875
1-(4-methylpiperazin-1-yl)heptadecan-1-one
CID 10043612
4-(4-methylpiperazin-1-yl)-4-oxobutanenitrile;propane
CID 144883336
2-bromo-1-(4-methylpiperazin-1-yl)ethanone;chloromethane
CID 161165311
1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
4-(methylamino)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 60840946
1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 22120281
ethane;7-[4-[2-(methylamino)acetyl]piperazin-1-yl]heptan-3-one
CID 169190267
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
1-(4-aminopiperazin-1-yl)propan-1-one;ethane;1-methylpyrrolidine
CID 167474728
N-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 170620451

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylpiperazin-1-yl)hexane-1,4-dione?
The IUPAC name of ethane;1-(4-methylpiperazin-1-yl)hexane-1,4-dione (CID 176683530) is ethane;1-(4-methylpiperazin-1-yl)hexane-1,4-dione.
What is the SMILES notation for ethane;1-(4-methylpiperazin-1-yl)hexane-1,4-dione?
The canonical SMILES for ethane;1-(4-methylpiperazin-1-yl)hexane-1,4-dione is CC.CCC(=O)CCC(=O)N1CCN(C)CC1.
What is the InChIKey of ethane;1-(4-methylpiperazin-1-yl)hexane-1,4-dione?
The InChIKey is YKUPJOUYRPDWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.C2H6/c1-3-10(14)4-5-11(15)13-8-6-12(2)7-9-13;1-2/h3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-methylpiperazin-1-yl)hexane-1,4-dione?
ethane;1-(4-methylpiperazin-1-yl)hexane-1,4-dione has a molecular weight of 242.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylpiperazin-1-yl)hexane-1,4-dione is sourced from PubChem (CID 176683530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).