2-(2,5-dimethylphenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone

C22H28N2O2 — CID 2709451

IUPAC2-(2,5-dimethylphenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C)c(OCC(=O)N2CCN(c3cccc(C)c3C)CC2)c1
InChIInChI=1S/C22H28N2O2/c1-16-8-9-18(3)21(14-16)26-15-22(25)24-12-10-23(11-13-24)20-7-5-6-17(2)19(20)4/h5-9,14H,10-13,15H2,1-4H3
InChIKeyPTCKXPHNJMTNFQ-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.65
Rot. Bonds4

About 2-(2,5-dimethylphenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone

2-(2,5-dimethylphenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone (PubChem CID 2709451) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
PubChem CID2709451
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(2,5-dimethylphenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C)c(OCC(=O)N2CCN(c3cccc(C)c3C)CC2)c1
InChIInChI=1S/C22H28N2O2/c1-16-8-9-18(3)21(14-16)26-15-22(25)24-12-10-23(11-13-24)20-7-5-6-17(2)19(20)4/h5-9,14H,10-13,15H2,1-4H3
InChIKeyPTCKXPHNJMTNFQ-UHFFFAOYSA-N
XLogP3.65
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 2669189
2-(2,4-dichlorophenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 1292697
5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]-4,7-dimethylchromen-2-one
CID 4972083
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
CID 99838467
2-(2,5-dimethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 17217386
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methoxy-4-prop-1-enylphenoxy)ethanone
CID 74514826
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 112791473
2-(1,3-benzodioxol-5-yloxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 17310271
2-(2,5-dimethylphenoxy)-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone
CID 55742604
2-(2,5-dimethylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 2911845
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(3-methylphenoxy)butan-1-one
CID 112791503
2-(2-aminoethoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 79463430

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,5-dimethylphenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone (CID 2709451) is 2-(2,5-dimethylphenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone is Cc1ccc(C)c(OCC(=O)N2CCN(c3cccc(C)c3C)CC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
The InChIKey is PTCKXPHNJMTNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-8-9-18(3)21(14-16)26-15-22(25)24-12-10-23(11-13-24)20-7-5-6-17(2)19(20)4/h5-9,14H,10-13,15H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
2-(2,5-dimethylphenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone has a molecular weight of 352.48 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2709451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).