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

C16H24Cl2N2 — CID 64933741

IUPAC1-[2-(2,4-dichlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(CCc2ccc(Cl)cc2Cl)C(C)CN1
InChIInChI=1S/C16H24Cl2N2/c1-4-16(3)11-20(12(2)10-19-16)8-7-13-5-6-14(17)9-15(13)18/h5-6,9,12,19H,4,7-8,10-11H2,1-3H3
InChIKeyMRXOLTYTQUSYOZ-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.00
Rot. Bonds4

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

1-[2-(2,4-dichlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine (PubChem CID 64933741) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine
PubChem CID64933741
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name1-[2-(2,4-dichlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(CCc2ccc(Cl)cc2Cl)C(C)CN1
InChIInChI=1S/C16H24Cl2N2/c1-4-16(3)11-20(12(2)10-19-16)8-7-13-5-6-14(17)9-15(13)18/h5-6,9,12,19H,4,7-8,10-11H2,1-3H3
InChIKeyMRXOLTYTQUSYOZ-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine (CID 64933741) is 1-[2-(2,4-dichlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine is CCC1(C)CN(CCc2ccc(Cl)cc2Cl)C(C)CN1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine?
The InChIKey is MRXOLTYTQUSYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-4-16(3)11-20(12(2)10-19-16)8-7-13-5-6-14(17)9-15(13)18/h5-6,9,12,19H,4,7-8,10-11H2,1-3H3.
What are the key properties of 1-[2-(2,4-dichlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine?
1-[2-(2,4-dichlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine has a molecular weight of 315.29 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)ethyl]-5-ethyl-2,5-dimethylpiperazine is sourced from PubChem (CID 64933741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).