2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone

C16H24N2O2 — CID 82134628

IUPAC2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone
SMILESCCOc1cc(C)c(CC(=O)N2CCNCC2)cc1C
InChIInChI=1S/C16H24N2O2/c1-4-20-15-10-12(2)14(9-13(15)3)11-16(19)18-7-5-17-6-8-18/h9-10,17H,4-8,11H2,1-3H3
InChIKeyLXIJFBYMBIINQC-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.68
Rot. Bonds4

About 2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone

2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone (PubChem CID 82134628) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone
PubChem CID82134628
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone
SMILESCCOc1cc(C)c(CC(=O)N2CCNCC2)cc1C
InChIInChI=1S/C16H24N2O2/c1-4-20-15-10-12(2)14(9-13(15)3)11-16(19)18-7-5-17-6-8-18/h9-10,17H,4-8,11H2,1-3H3
InChIKeyLXIJFBYMBIINQC-UHFFFAOYSA-N
XLogP1.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-4,5-diethoxyphenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119400587
1-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine
CID 94693693
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-1-ylethanone
CID 98020112
4-(4-methoxy-2,5-dimethylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83927800
4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933648
2-(4-chloro-2-methylphenyl)-1-piperazin-1-ylethanone
CID 82511847
1-ethoxy-4-ethyl-2,5-dimethylbenzene
CID 84761080
2-(4-methoxy-2,5-dimethylphenyl)-1-morpholin-4-ylethanone
CID 110767973
1-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]piperazine
CID 82305365
1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone
CID 110769594
1-[4-(4-ethoxy-2,5-dimethylbenzoyl)piperazin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 110815162
4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933257

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone (CID 82134628) is 2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone is CCOc1cc(C)c(CC(=O)N2CCNCC2)cc1C.
What is the InChIKey of 2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone?
The InChIKey is LXIJFBYMBIINQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-20-15-10-12(2)14(9-13(15)3)11-16(19)18-7-5-17-6-8-18/h9-10,17H,4-8,11H2,1-3H3.
What are the key properties of 2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone?
2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone has a molecular weight of 276.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 82134628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).