1-(4-ethylpiperazin-1-yl)ethanone

C8H16N2O — CID 4305495

IUPAC1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C8H16N2O/c1-3-9-4-6-10(7-5-9)8(2)11/h3-7H2,1-2H3
InChIKeyVUHRYOBNDRCGBH-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.17
Rot. Bonds1

About 1-(4-ethylpiperazin-1-yl)ethanone

1-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 4305495) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)ethanone
PubChem CID4305495
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C8H16N2O/c1-3-9-4-6-10(7-5-9)8(2)11/h3-7H2,1-2H3
InChIKeyVUHRYOBNDRCGBH-UHFFFAOYSA-N
XLogP0.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)ethanone (CID 4305495) is 1-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is VUHRYOBNDRCGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-9-4-6-10(7-5-9)8(2)11/h3-7H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)ethanone?
1-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 156.23 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 4305495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).