2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine

C23H19Cl5N2 — CID 11649027

IUPAC2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
SMILESClc1ccc(C2CN(Cc3c(Cl)cccc3Cl)CCN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H19Cl5N2/c24-16-6-4-15(5-7-16)23-14-29(13-18-19(26)2-1-3-20(18)27)10-11-30(23)22-9-8-17(25)12-21(22)28/h1-9,12,23H,10-11,13-14H2
InChIKeyMVIFJHINEPQTFW-UHFFFAOYSA-N
MW500.68 g/mol
LogP8.02
Rot. Bonds4

About 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine

2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine (PubChem CID 11649027) has the molecular formula C23H19Cl5N2 and a molecular weight of 500.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
PubChem CID11649027
Molecular FormulaC23H19Cl5N2
Molecular Weight500.68 g/mol
Exact Mass498.00
IUPAC Name2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
SMILESClc1ccc(C2CN(Cc3c(Cl)cccc3Cl)CCN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H19Cl5N2/c24-16-6-4-15(5-7-16)23-14-29(13-18-19(26)2-1-3-20(18)27)10-11-30(23)22-9-8-17(25)12-21(22)28/h1-9,12,23H,10-11,13-14H2
InChIKeyMVIFJHINEPQTFW-UHFFFAOYSA-N
XLogP8.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.68
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine (CID 11649027) is 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine is Clc1ccc(C2CN(Cc3c(Cl)cccc3Cl)CCN2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine?
The InChIKey is MVIFJHINEPQTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl5N2/c24-16-6-4-15(5-7-16)23-14-29(13-18-19(26)2-1-3-20(18)27)10-11-30(23)22-9-8-17(25)12-21(22)28/h1-9,12,23H,10-11,13-14H2.
What are the key properties of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine?
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine has a molecular weight of 500.68 g/mol, XLogP of 8.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine is sourced from PubChem (CID 11649027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).