ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone

C11H24N2O2 — CID 143432460

IUPACethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
SMILESCC.COCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C9H18N2O2.C2H6/c1-9(12)11-5-3-10(4-6-11)7-8-13-2;1-2/h3-8H2,1-2H3;1-2H3
InChIKeyJYSZGCVFTGCFCS-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.82
Rot. Bonds3

About ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone

ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone (PubChem CID 143432460) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
PubChem CID143432460
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nameethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
SMILESCC.COCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C9H18N2O2.C2H6/c1-9(12)11-5-3-10(4-6-11)7-8-13-2;1-2/h3-8H2,1-2H3;1-2H3
InChIKeyJYSZGCVFTGCFCS-UHFFFAOYSA-N
XLogP0.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Acetylmorpholine
CID 15543
4-Acetyl-1-(2-ethoxy-2-oxoethyl)-1-methylpiperazin-1-ium
CID 16193173
1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester
CID 199462
1,2-Dimorpholinoethanone
CID 242924
Piperazine, 1,4-bis(methoxyacetyl)-
CID 204973
Piperazine, 1,4-bis(ethoxyacetyl)-
CID 204974
1-Acetyl-4-(2-hydroxyethyl)piperazine
CID 4739629
Piperazine, 1,4-bis(propoxyacetyl)-
CID 204975
N-(2-Methoxyethyl)-1-piperazineacetamide
CID 7131115
Morpholine, 4-(isocyanoacetyl)-
CID 6455475
N-(2-morpholin-4-ylethyl)acetamide
CID 222367
2-Ethoxy-1-(4-ethylpiperazin-1-yl)ethanone
CID 2947957

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone (CID 143432460) is ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone is CC.COCCN1CCN(C(C)=O)CC1.
What is the InChIKey of ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?
The InChIKey is JYSZGCVFTGCFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.C2H6/c1-9(12)11-5-3-10(4-6-11)7-8-13-2;1-2/h3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone?
ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone has a molecular weight of 216.32 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 143432460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).