3-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-one

C12H20N2O — CID 144883352

IUPAC3-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-one
SMILESCCN1CCN(C2=CC(=O)CCC2)CC1
InChIInChI=1S/C12H20N2O/c1-2-13-6-8-14(9-7-13)11-4-3-5-12(15)10-11/h10H,2-9H2,1H3
InChIKeyGGOQLITVDWKIKU-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.26
Rot. Bonds2

About 3-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-one

3-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-one (PubChem CID 144883352) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-one
PubChem CID144883352
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-one
SMILESCCN1CCN(C2=CC(=O)CCC2)CC1
InChIInChI=1S/C12H20N2O/c1-2-13-6-8-14(9-7-13)11-4-3-5-12(15)10-11/h10H,2-9H2,1H3
InChIKeyGGOQLITVDWKIKU-UHFFFAOYSA-N
XLogP1.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-Dimethyl-3-(piperidino)cyclohex-2-en-1-one
CID 139441
3-[4-(3-Oxocyclohex-1-enyl)piperazinyl]cyclohex-2-en-1-one
CID 658450
3-(4,4-Dimethylpiperazin-4-ium-1-yl)cyclopent-2-en-1-one iodide
CID 10958231
3-(Dimethylamino)cyclohex-2-en-1-one
CID 80219
3-(4,4-Dimethylpiperazin-4-ium-1-yl)cyclohex-2-en-1-one iodide
CID 11045952
3-(Piperidin-1-yl)cyclohex-2-en-1-one
CID 12213488
3,3'-(Piperazine-1,4-diyl)bis(5,5-dimethylcyclohex-2-enone)
CID 648648
3-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-one
CID 10888817
3-(4-Methylpiperazin-1-yl)cyclopent-2-en-1-one
CID 11063014
2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)-
CID 3658300
3-(Dibutylamino)cyclohex-2-en-1-one
CID 71394806
(E)-5-piperidin-1-ylhex-4-en-3-one
CID 13378810

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-one?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-one (CID 144883352) is 3-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-one is CCN1CCN(C2=CC(=O)CCC2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-one?
The InChIKey is GGOQLITVDWKIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-13-6-8-14(9-7-13)11-4-3-5-12(15)10-11/h10H,2-9H2,1H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-one?
3-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-one has a molecular weight of 208.30 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 144883352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).