2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone

C14H18Cl2N2O — CID 79658392

IUPAC2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone
SMILESCN1CCN(C)C(C(=O)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H18Cl2N2O/c1-17-5-6-18(2)13(9-17)14(19)8-10-3-4-11(15)12(16)7-10/h3-4,7,13H,5-6,8-9H2,1-2H3
InChIKeyOIGMGWLJJMTYTR-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.35
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone

2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone (PubChem CID 79658392) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone
PubChem CID79658392
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone
SMILESCN1CCN(C)C(C(=O)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H18Cl2N2O/c1-17-5-6-18(2)13(9-17)14(19)8-10-3-4-11(15)12(16)7-10/h3-4,7,13H,5-6,8-9H2,1-2H3
InChIKeyOIGMGWLJJMTYTR-UHFFFAOYSA-N
XLogP2.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone
CID 103595311
1-(1,4-dimethylpiperazin-2-yl)-2-(3-methoxyphenyl)ethanone
CID 79659383
2-(5-bromo-3-pyridinyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone
CID 113454523
2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669702
(3-chlorothiophen-2-yl)-(1,4-dimethylpiperazin-2-yl)methanone
CID 107359394
2-(3,4-dichlorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 64773768
N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897594
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(3,4-dichlorophenyl)ethanone
CID 95365649
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3,4-dichlorophenyl)ethanone
CID 55146937
1-(1,4-dimethylpiperazin-2-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744941
1-(1,4-dimethylpiperazin-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanone
CID 79659230
2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658687

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone (CID 79658392) is 2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone is CN1CCN(C)C(C(=O)Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone?
The InChIKey is OIGMGWLJJMTYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-17-5-6-18(2)13(9-17)14(19)8-10-3-4-11(15)12(16)7-10/h3-4,7,13H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone?
2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone has a molecular weight of 301.22 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone is sourced from PubChem (CID 79658392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).