2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride

C21H27ClN2O3 — CID 120735093

IUPAC2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)COc1ccc(C)cc1C.Cl
InChIInChI=1S/C21H26N2O3.ClH/c1-15-8-9-19(16(2)12-15)26-14-21(24)23-11-10-22-13-18(23)17-6-4-5-7-20(17)25-3;/h4-9,12,18,22H,10-11,13-14H2,1-3H3;1H
InChIKeyRWPOQOQVWCFFJI-UHFFFAOYSA-N
MW390.91 g/mol
LogP3.29
Rot. Bonds5

About 2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride

2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 120735093) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID120735093
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Name2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)COc1ccc(C)cc1C.Cl
InChIInChI=1S/C21H26N2O3.ClH/c1-15-8-9-19(16(2)12-15)26-14-21(24)23-11-10-22-13-18(23)17-6-4-5-7-20(17)25-3;/h4-9,12,18,22H,10-11,13-14H2,1-3H3;1H
InChIKeyRWPOQOQVWCFFJI-UHFFFAOYSA-N
XLogP3.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120735094
2-(2,6-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735437
2-(2-methoxy-5-methylphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120734683
(2,4-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735161
2-(2,4-dimethylphenoxy)-1-(2-methylpiperazin-1-yl)ethanone
CID 119472369
(2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734041
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 120738744
4-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide;hydrochloride
CID 120732884
2-cyclopentyloxy-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735006
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 120733025
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 120735077
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 120734991

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride (CID 120735093) is 2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride is COc1ccccc1C1CNCCN1C(=O)COc1ccc(C)cc1C.Cl.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is RWPOQOQVWCFFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3.ClH/c1-15-8-9-19(16(2)12-15)26-14-21(24)23-11-10-22-13-18(23)17-6-4-5-7-20(17)25-3;/h4-9,12,18,22H,10-11,13-14H2,1-3H3;1H.
What are the key properties of 2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride?
2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 390.91 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 120735093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).