1-ethyl-4-(2,4,6-trimethylphenyl)piperazin-2-one

C15H22N2O — CID 117013590

IUPAC1-ethyl-4-(2,4,6-trimethylphenyl)piperazin-2-one
SMILESCCN1CCN(c2c(C)cc(C)cc2C)CC1=O
InChIInChI=1S/C15H22N2O/c1-5-16-6-7-17(10-14(16)18)15-12(3)8-11(2)9-13(15)4/h8-9H,5-7,10H2,1-4H3
InChIKeySNRUHRMIFIMIMS-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.28
Rot. Bonds2

About 1-ethyl-4-(2,4,6-trimethylphenyl)piperazin-2-one

1-ethyl-4-(2,4,6-trimethylphenyl)piperazin-2-one (PubChem CID 117013590) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-ethyl-4-(2,4,6-trimethylphenyl)piperazin-2-one.

Molecular Properties

Compound Name1-ethyl-4-(2,4,6-trimethylphenyl)piperazin-2-one
PubChem CID117013590
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-ethyl-4-(2,4,6-trimethylphenyl)piperazin-2-one
SMILESCCN1CCN(c2c(C)cc(C)cc2C)CC1=O
InChIInChI=1S/C15H22N2O/c1-5-16-6-7-17(10-14(16)18)15-12(3)8-11(2)9-13(15)4/h8-9H,5-7,10H2,1-4H3
InChIKeySNRUHRMIFIMIMS-UHFFFAOYSA-N
XLogP2.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one
CID 101485045
4-(4-chlorophenyl)-1-ethylpiperazin-2-one
CID 117013599
3-(4-ethyl-3-oxopiperazin-1-yl)benzonitrile
CID 117013635
2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid
CID 4741827
2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one
CID 113076267
3-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propanoic acid
CID 4741828
1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole
CID 171371589
3-oxo-3-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propanoate
CID 2051651
1-(2-ethyl-4,6-dimethylphenyl)piperazine
CID 59119296
methyl 4-(2,4,6-trimethylphenyl)piperazine-1-carboxylate
CID 113076313
2-(2,4,6-trimethylphenyl)-4H-pyrazol-3-one
CID 112656236
1-ethyl-4-(2-methylpropyl)piperazin-2-one
CID 117013553

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2,4,6-trimethylphenyl)piperazin-2-one?
The IUPAC name of 1-ethyl-4-(2,4,6-trimethylphenyl)piperazin-2-one (CID 117013590) is 1-ethyl-4-(2,4,6-trimethylphenyl)piperazin-2-one.
What is the SMILES notation for 1-ethyl-4-(2,4,6-trimethylphenyl)piperazin-2-one?
The canonical SMILES for 1-ethyl-4-(2,4,6-trimethylphenyl)piperazin-2-one is CCN1CCN(c2c(C)cc(C)cc2C)CC1=O.
What is the InChIKey of 1-ethyl-4-(2,4,6-trimethylphenyl)piperazin-2-one?
The InChIKey is SNRUHRMIFIMIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-16-6-7-17(10-14(16)18)15-12(3)8-11(2)9-13(15)4/h8-9H,5-7,10H2,1-4H3.
What are the key properties of 1-ethyl-4-(2,4,6-trimethylphenyl)piperazin-2-one?
1-ethyl-4-(2,4,6-trimethylphenyl)piperazin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2,4,6-trimethylphenyl)piperazin-2-one is sourced from PubChem (CID 117013590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).