1-(2,4-dichlorophenyl)-2-(4-methylphenyl)piperazine

C17H18Cl2N2 — CID 59261442

IUPAC1-(2,4-dichlorophenyl)-2-(4-methylphenyl)piperazine
SMILESCc1ccc(C2CNCCN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2/c1-12-2-4-13(5-3-12)17-11-20-8-9-21(17)16-7-6-14(18)10-15(16)19/h2-7,10,17,20H,8-9,11H2,1H3
InChIKeyIXZCXQZSEKYZIW-UHFFFAOYSA-N
MW321.25 g/mol
LogP4.45
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-2-(4-methylphenyl)piperazine

1-(2,4-dichlorophenyl)-2-(4-methylphenyl)piperazine (PubChem CID 59261442) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(4-methylphenyl)piperazine
PubChem CID59261442
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name1-(2,4-dichlorophenyl)-2-(4-methylphenyl)piperazine
SMILESCc1ccc(C2CNCCN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2/c1-12-2-4-13(5-3-12)17-11-20-8-9-21(17)16-7-6-14(18)10-15(16)19/h2-7,10,17,20H,8-9,11H2,1H3
InChIKeyIXZCXQZSEKYZIW-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-methylphenyl)piperazine?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-methylphenyl)piperazine (CID 59261442) is 1-(2,4-dichlorophenyl)-2-(4-methylphenyl)piperazine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(4-methylphenyl)piperazine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(4-methylphenyl)piperazine is Cc1ccc(C2CNCCN2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(4-methylphenyl)piperazine?
The InChIKey is IXZCXQZSEKYZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c1-12-2-4-13(5-3-12)17-11-20-8-9-21(17)16-7-6-14(18)10-15(16)19/h2-7,10,17,20H,8-9,11H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(4-methylphenyl)piperazine?
1-(2,4-dichlorophenyl)-2-(4-methylphenyl)piperazine has a molecular weight of 321.25 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(4-methylphenyl)piperazine is sourced from PubChem (CID 59261442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).