1-[2-(2,4-dichlorophenoxy)ethyl]-2,6-dimethylpiperazine

C14H20Cl2N2O — CID 63911030

IUPAC1-[2-(2,4-dichlorophenoxy)ethyl]-2,6-dimethylpiperazine
SMILESCC1CNCC(C)N1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-10-8-17-9-11(2)18(10)5-6-19-14-4-3-12(15)7-13(14)16/h3-4,7,10-11,17H,5-6,8-9H2,1-2H3
InChIKeyVIFAAMCEBZOCRA-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.05
Rot. Bonds4

About 1-[2-(2,4-dichlorophenoxy)ethyl]-2,6-dimethylpiperazine

1-[2-(2,4-dichlorophenoxy)ethyl]-2,6-dimethylpiperazine (PubChem CID 63911030) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenoxy)ethyl]-2,6-dimethylpiperazine.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenoxy)ethyl]-2,6-dimethylpiperazine
PubChem CID63911030
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name1-[2-(2,4-dichlorophenoxy)ethyl]-2,6-dimethylpiperazine
SMILESCC1CNCC(C)N1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-10-8-17-9-11(2)18(10)5-6-19-14-4-3-12(15)7-13(14)16/h3-4,7,10-11,17H,5-6,8-9H2,1-2H3
InChIKeyVIFAAMCEBZOCRA-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5R)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893166
(3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893165
5-[2-(2,4-dichlorophenoxy)ethyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66207781
(2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride
CID 120966667
8-[2-(2,4-dichlorophenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233711
3-[2-(2,4-dichlorophenoxy)ethylsulfanylmethyl]azetidine
CID 66289058
N-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine
CID 66216702
1-[2-(2,4-dichlorophenoxy)ethyl]-2,2-dimethylpiperazine
CID 65461570
1-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 7652287
(3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine
CID 86320969
2-(2,4-dichlorophenoxy)-1-[4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]ethanone
CID 110602168
N-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913425

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenoxy)ethyl]-2,6-dimethylpiperazine?
The IUPAC name of 1-[2-(2,4-dichlorophenoxy)ethyl]-2,6-dimethylpiperazine (CID 63911030) is 1-[2-(2,4-dichlorophenoxy)ethyl]-2,6-dimethylpiperazine.
What is the SMILES notation for 1-[2-(2,4-dichlorophenoxy)ethyl]-2,6-dimethylpiperazine?
The canonical SMILES for 1-[2-(2,4-dichlorophenoxy)ethyl]-2,6-dimethylpiperazine is CC1CNCC(C)N1CCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenoxy)ethyl]-2,6-dimethylpiperazine?
The InChIKey is VIFAAMCEBZOCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-10-8-17-9-11(2)18(10)5-6-19-14-4-3-12(15)7-13(14)16/h3-4,7,10-11,17H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[2-(2,4-dichlorophenoxy)ethyl]-2,6-dimethylpiperazine?
1-[2-(2,4-dichlorophenoxy)ethyl]-2,6-dimethylpiperazine has a molecular weight of 303.23 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenoxy)ethyl]-2,6-dimethylpiperazine is sourced from PubChem (CID 63911030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).