1-(2,5-dichlorophenyl)-3-ethyl-3-methylpiperazine

C13H18Cl2N2 — CID 64924867

IUPAC1-(2,5-dichlorophenyl)-3-ethyl-3-methylpiperazine
SMILESCCC1(C)CN(c2cc(Cl)ccc2Cl)CCN1
InChIInChI=1S/C13H18Cl2N2/c1-3-13(2)9-17(7-6-16-13)12-8-10(14)4-5-11(12)15/h4-5,8,16H,3,6-7,9H2,1-2H3
InChIKeyJOZNSNONOLKWBZ-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.57
Rot. Bonds2

About 1-(2,5-dichlorophenyl)-3-ethyl-3-methylpiperazine

1-(2,5-dichlorophenyl)-3-ethyl-3-methylpiperazine (PubChem CID 64924867) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-ethyl-3-methylpiperazine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-ethyl-3-methylpiperazine
PubChem CID64924867
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name1-(2,5-dichlorophenyl)-3-ethyl-3-methylpiperazine
SMILESCCC1(C)CN(c2cc(Cl)ccc2Cl)CCN1
InChIInChI=1S/C13H18Cl2N2/c1-3-13(2)9-17(7-6-16-13)12-8-10(14)4-5-11(12)15/h4-5,8,16H,3,6-7,9H2,1-2H3
InChIKeyJOZNSNONOLKWBZ-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-ethyl-3-methylpiperazine?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-ethyl-3-methylpiperazine (CID 64924867) is 1-(2,5-dichlorophenyl)-3-ethyl-3-methylpiperazine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-ethyl-3-methylpiperazine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-ethyl-3-methylpiperazine is CCC1(C)CN(c2cc(Cl)ccc2Cl)CCN1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-ethyl-3-methylpiperazine?
The InChIKey is JOZNSNONOLKWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-3-13(2)9-17(7-6-16-13)12-8-10(14)4-5-11(12)15/h4-5,8,16H,3,6-7,9H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-ethyl-3-methylpiperazine?
1-(2,5-dichlorophenyl)-3-ethyl-3-methylpiperazine has a molecular weight of 273.21 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-ethyl-3-methylpiperazine is sourced from PubChem (CID 64924867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).