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

C14H20Cl2N2O — CID 65461570

IUPAC1-[2-(2,4-dichlorophenoxy)ethyl]-2,2-dimethylpiperazine
SMILESCC1(C)CNCCN1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-14(2)10-17-5-6-18(14)7-8-19-13-4-3-11(15)9-12(13)16/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyCNAVJJVQLNEXNW-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.06
Rot. Bonds4

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

1-[2-(2,4-dichlorophenoxy)ethyl]-2,2-dimethylpiperazine (PubChem CID 65461570) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenoxy)ethyl]-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenoxy)ethyl]-2,2-dimethylpiperazine
PubChem CID65461570
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name1-[2-(2,4-dichlorophenoxy)ethyl]-2,2-dimethylpiperazine
SMILESCC1(C)CNCCN1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-14(2)10-17-5-6-18(14)7-8-19-13-4-3-11(15)9-12(13)16/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyCNAVJJVQLNEXNW-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[2-(4-methylphenoxy)ethyl]piperazine
CID 65460395
N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylpyrrolidin-3-amine
CID 107423652
1-[2-(2,4-dichlorophenoxy)ethyl]-2,6-dimethylpiperazine
CID 63911030
1-[(3-chloro-4-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 81154666
(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
N-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913425
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
4-[2-(2,4-dichlorophenoxy)ethyl]-3-propan-2-ylpiperazin-2-one
CID 56574948
5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 4025204
3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 55085396
1-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylpiperazine
CID 106864175

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenoxy)ethyl]-2,2-dimethylpiperazine?
The IUPAC name of 1-[2-(2,4-dichlorophenoxy)ethyl]-2,2-dimethylpiperazine (CID 65461570) is 1-[2-(2,4-dichlorophenoxy)ethyl]-2,2-dimethylpiperazine.
What is the SMILES notation for 1-[2-(2,4-dichlorophenoxy)ethyl]-2,2-dimethylpiperazine?
The canonical SMILES for 1-[2-(2,4-dichlorophenoxy)ethyl]-2,2-dimethylpiperazine is CC1(C)CNCCN1CCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenoxy)ethyl]-2,2-dimethylpiperazine?
The InChIKey is CNAVJJVQLNEXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-14(2)10-17-5-6-18(14)7-8-19-13-4-3-11(15)9-12(13)16/h3-4,9,17H,5-8,10H2,1-2H3.
What are the key properties of 1-[2-(2,4-dichlorophenoxy)ethyl]-2,2-dimethylpiperazine?
1-[2-(2,4-dichlorophenoxy)ethyl]-2,2-dimethylpiperazine has a molecular weight of 303.23 g/mol, XLogP of 3.06, 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]-2,2-dimethylpiperazine is sourced from PubChem (CID 65461570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).