1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine

C16H24Cl2N2 — CID 64934081

IUPAC1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine
SMILESCCC1CN(C(C)c2ccc(Cl)cc2Cl)C(CC)CN1
InChIInChI=1S/C16H24Cl2N2/c1-4-13-10-20(14(5-2)9-19-13)11(3)15-7-6-12(17)8-16(15)18/h6-8,11,13-14,19H,4-5,9-10H2,1-3H3
InChIKeyILEBYWNFDSIOIA-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.52
Rot. Bonds4

About 1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine

1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine (PubChem CID 64934081) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine
PubChem CID64934081
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine
SMILESCCC1CN(C(C)c2ccc(Cl)cc2Cl)C(CC)CN1
InChIInChI=1S/C16H24Cl2N2/c1-4-13-10-20(14(5-2)9-19-13)11(3)15-7-6-12(17)8-16(15)18/h6-8,11,13-14,19H,4-5,9-10H2,1-3H3
InChIKeyILEBYWNFDSIOIA-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzene-1,3-diol
CID 64977805
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-diethylpiperazine
CID 64948086
1-[1-(5-bromothiophen-2-yl)ethyl]-2,5-diethylpiperazine
CID 64977829
1-(5-chloro-2-methoxyphenyl)-2,5-diethylpiperazine
CID 64933713
2,5-diethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine
CID 64977794
1-[1-(2,4-dichlorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64937506
5-[1-[(2R,5S)-2,5-diethylpiperazin-1-yl]ethyl]-4-fluoro-1,3-benzothiazole
CID 177310039
5-[1-[(2R,5S)-2,5-diethylpiperazin-1-yl]ethyl]-2,1-benzothiazole
CID 177310021
3-[1-(2,5-diethylpiperazin-1-yl)ethyl]benzonitrile
CID 64978138
1-(4-chloro-2-iodophenyl)-2,5-diethylpiperazine
CID 107640027
[1-[1-(2,4-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504427
2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine
CID 64843293

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine (CID 64934081) is 1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine is CCC1CN(C(C)c2ccc(Cl)cc2Cl)C(CC)CN1.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine?
The InChIKey is ILEBYWNFDSIOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-4-13-10-20(14(5-2)9-19-13)11(3)15-7-6-12(17)8-16(15)18/h6-8,11,13-14,19H,4-5,9-10H2,1-3H3.
What are the key properties of 1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine?
1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine has a molecular weight of 315.29 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine is sourced from PubChem (CID 64934081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).