1-(2,4-dichloro-6-methoxyphenyl)-2-piperazin-1-ylethanone

C13H16Cl2N2O2 — CID 82554124

IUPAC1-(2,4-dichloro-6-methoxyphenyl)-2-piperazin-1-ylethanone
SMILESCOc1cc(Cl)cc(Cl)c1C(=O)CN1CCNCC1
InChIInChI=1S/C13H16Cl2N2O2/c1-19-12-7-9(14)6-10(15)13(12)11(18)8-17-4-2-16-3-5-17/h6-7,16H,2-5,8H2,1H3
InChIKeyGCDSWHPNZUMIGJ-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.09
Rot. Bonds4

About 1-(2,4-dichloro-6-methoxyphenyl)-2-piperazin-1-ylethanone

1-(2,4-dichloro-6-methoxyphenyl)-2-piperazin-1-ylethanone (PubChem CID 82554124) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 1-(2,4-dichloro-6-methoxyphenyl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-(2,4-dichloro-6-methoxyphenyl)-2-piperazin-1-ylethanone
PubChem CID82554124
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name1-(2,4-dichloro-6-methoxyphenyl)-2-piperazin-1-ylethanone
SMILESCOc1cc(Cl)cc(Cl)c1C(=O)CN1CCNCC1
InChIInChI=1S/C13H16Cl2N2O2/c1-19-12-7-9(14)6-10(15)13(12)11(18)8-17-4-2-16-3-5-17/h6-7,16H,2-5,8H2,1H3
InChIKeyGCDSWHPNZUMIGJ-UHFFFAOYSA-N
XLogP2.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone
CID 95468407
1-(4-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanone
CID 22355888
4-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
CID 60680385
1-(5-chloro-2,4-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82268072
2,4-dichloro-6-methoxybenzamide
CID 118588801
1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperazin-1-ylethanone
CID 114668690
2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 93191529
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193413
1-[2-(5-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458589
1-(4-ethoxy-2,6-dimethylphenyl)-2-piperazin-1-ylethanone
CID 82266551
N-[(2-chloro-6-methoxyphenyl)methyl]-2-piperazin-1-ylacetamide
CID 103292396
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-6-methoxyphenyl)-2-piperazin-1-ylethanone?
The IUPAC name of 1-(2,4-dichloro-6-methoxyphenyl)-2-piperazin-1-ylethanone (CID 82554124) is 1-(2,4-dichloro-6-methoxyphenyl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-(2,4-dichloro-6-methoxyphenyl)-2-piperazin-1-ylethanone?
The canonical SMILES for 1-(2,4-dichloro-6-methoxyphenyl)-2-piperazin-1-ylethanone is COc1cc(Cl)cc(Cl)c1C(=O)CN1CCNCC1.
What is the InChIKey of 1-(2,4-dichloro-6-methoxyphenyl)-2-piperazin-1-ylethanone?
The InChIKey is GCDSWHPNZUMIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-19-12-7-9(14)6-10(15)13(12)11(18)8-17-4-2-16-3-5-17/h6-7,16H,2-5,8H2,1H3.
What are the key properties of 1-(2,4-dichloro-6-methoxyphenyl)-2-piperazin-1-ylethanone?
1-(2,4-dichloro-6-methoxyphenyl)-2-piperazin-1-ylethanone has a molecular weight of 303.19 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-6-methoxyphenyl)-2-piperazin-1-ylethanone is sourced from PubChem (CID 82554124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).