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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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).