2-(4-ethylpiperazin-1-yl)-1-(2,3,5,6-tetramethylphenyl)ethanone

C18H28N2O — CID 93192466

IUPAC2-(4-ethylpiperazin-1-yl)-1-(2,3,5,6-tetramethylphenyl)ethanone
SMILESCCN1CCN(CC(=O)c2c(C)c(C)cc(C)c2C)CC1
InChIInChI=1S/C18H28N2O/c1-6-19-7-9-20(10-8-19)12-17(21)18-15(4)13(2)11-14(3)16(18)5/h11H,6-10,12H2,1-5H3
InChIKeyJRAAZZLGSRLBJS-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.74
Rot. Bonds4

About 2-(4-ethylpiperazin-1-yl)-1-(2,3,5,6-tetramethylphenyl)ethanone

2-(4-ethylpiperazin-1-yl)-1-(2,3,5,6-tetramethylphenyl)ethanone (PubChem CID 93192466) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-1-(2,3,5,6-tetramethylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-1-(2,3,5,6-tetramethylphenyl)ethanone
PubChem CID93192466
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(4-ethylpiperazin-1-yl)-1-(2,3,5,6-tetramethylphenyl)ethanone
SMILESCCN1CCN(CC(=O)c2c(C)c(C)cc(C)c2C)CC1
InChIInChI=1S/C18H28N2O/c1-6-19-7-9-20(10-8-19)12-17(21)18-15(4)13(2)11-14(3)16(18)5/h11H,6-10,12H2,1-5H3
InChIKeyJRAAZZLGSRLBJS-UHFFFAOYSA-N
XLogP2.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]piperidine-3-carboxylic acid
CID 82136192
2-(4-ethylpiperazin-1-yl)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 93192549
1-(4,5-dimethyl-2-propoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 93193762
2-(azocan-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 43219868
1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 110654182
4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carbaldehyde
CID 94283320
1-(4-ethoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanone
CID 82053135
2-(4-ethylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 93191615
3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 82283322
2-(4-ethylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 43227541
2-(4-ethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43219308
2-(4-propan-2-ylpiperazin-1-yl)-1-(2,4,5-trimethylphenyl)ethanone
CID 43797246

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-(2,3,5,6-tetramethylphenyl)ethanone?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-(2,3,5,6-tetramethylphenyl)ethanone (CID 93192466) is 2-(4-ethylpiperazin-1-yl)-1-(2,3,5,6-tetramethylphenyl)ethanone.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-1-(2,3,5,6-tetramethylphenyl)ethanone?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-1-(2,3,5,6-tetramethylphenyl)ethanone is CCN1CCN(CC(=O)c2c(C)c(C)cc(C)c2C)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-1-(2,3,5,6-tetramethylphenyl)ethanone?
The InChIKey is JRAAZZLGSRLBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-6-19-7-9-20(10-8-19)12-17(21)18-15(4)13(2)11-14(3)16(18)5/h11H,6-10,12H2,1-5H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-1-(2,3,5,6-tetramethylphenyl)ethanone?
2-(4-ethylpiperazin-1-yl)-1-(2,3,5,6-tetramethylphenyl)ethanone has a molecular weight of 288.44 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-1-(2,3,5,6-tetramethylphenyl)ethanone is sourced from PubChem (CID 93192466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).