1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone

C19H21ClN2O3 — CID 120738744

IUPAC1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-24-17-8-4-5-9-18(17)25-13-19(23)22-11-10-21-12-16(22)14-6-2-3-7-15(14)20/h2-9,16,21H,10-13H2,1H3
InChIKeyUAVUKSXEVZCDSC-UHFFFAOYSA-N
MW360.84 g/mol
LogP2.90
Rot. Bonds5

About 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone (PubChem CID 120738744) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
PubChem CID120738744
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-24-17-8-4-5-9-18(17)25-13-19(23)22-11-10-21-12-16(22)14-6-2-3-7-15(14)20/h2-9,16,21H,10-13H2,1H3
InChIKeyUAVUKSXEVZCDSC-UHFFFAOYSA-N
XLogP2.90
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethoxyphenyl)ethanone
CID 120739742
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
2-(2,6-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735437
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;hydrochloride
CID 120739849
2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119469956
1-[2-(2-chlorophenyl)piperazin-1-yl]-5-methoxypentan-1-one
CID 120739566
2-(2-chlorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone
CID 119471869
2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120735094
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one
CID 120738227
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 120738747
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone;hydrochloride
CID 120739203
2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735093

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone (CID 120738744) is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The canonical SMILES for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone is COc1ccccc1OCC(=O)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The InChIKey is UAVUKSXEVZCDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-24-17-8-4-5-9-18(17)25-13-19(23)22-11-10-21-12-16(22)14-6-2-3-7-15(14)20/h2-9,16,21H,10-13H2,1H3.
What are the key properties of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone has a molecular weight of 360.84 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone is sourced from PubChem (CID 120738744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).