2-(2,4-dichlorophenoxy)-1-(2,4-dimethylpiperazin-1-yl)ethanone

C14H18Cl2N2O2 — CID 110707765

IUPAC2-(2,4-dichlorophenoxy)-1-(2,4-dimethylpiperazin-1-yl)ethanone
SMILESCC1CN(C)CCN1C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-10-8-17(2)5-6-18(10)14(19)9-20-13-4-3-11(15)7-12(13)16/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyAXPCSWNMWPYUKB-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.53
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)-1-(2,4-dimethylpiperazin-1-yl)ethanone

2-(2,4-dichlorophenoxy)-1-(2,4-dimethylpiperazin-1-yl)ethanone (PubChem CID 110707765) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-(2,4-dimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-(2,4-dimethylpiperazin-1-yl)ethanone
PubChem CID110707765
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name2-(2,4-dichlorophenoxy)-1-(2,4-dimethylpiperazin-1-yl)ethanone
SMILESCC1CN(C)CCN1C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-10-8-17(2)5-6-18(10)14(19)9-20-13-4-3-11(15)7-12(13)16/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyAXPCSWNMWPYUKB-UHFFFAOYSA-N
XLogP2.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1103949
2-(2,4-dichlorophenoxy)-1-(3-methylmorpholin-4-yl)ethanone
CID 75765846
2-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazolidin-3-yl)ethanone
CID 110740156
2-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazinan-3-yl)ethanone
CID 110739797
2-(2,4-dichlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 22264813
1-(2,4-dimethylpiperazin-1-yl)-2-phenoxyethanone
CID 110707763
2-(2,4-dichlorophenoxy)-1-[4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]ethanone
CID 110602168
2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 110707760
2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 110830692
1-[2-(2,4-dichlorophenoxy)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721708
1-[2-(2,4-dichlorophenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119590
1-[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 155952715

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-(2,4-dimethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-(2,4-dimethylpiperazin-1-yl)ethanone (CID 110707765) is 2-(2,4-dichlorophenoxy)-1-(2,4-dimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-(2,4-dimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-(2,4-dimethylpiperazin-1-yl)ethanone is CC1CN(C)CCN1C(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-(2,4-dimethylpiperazin-1-yl)ethanone?
The InChIKey is AXPCSWNMWPYUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-10-8-17(2)5-6-18(10)14(19)9-20-13-4-3-11(15)7-12(13)16/h3-4,7,10H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-(2,4-dimethylpiperazin-1-yl)ethanone?
2-(2,4-dichlorophenoxy)-1-(2,4-dimethylpiperazin-1-yl)ethanone has a molecular weight of 317.22 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-(2,4-dimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110707765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).