4-[(3-chloro-5-methylphenyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine

C24H22Cl4N2 — CID 11705679

IUPAC4-[(3-chloro-5-methylphenyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine
SMILESCc1cc(Cl)cc(CN2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C24H22Cl4N2/c1-16-10-17(12-21(27)11-16)14-29-8-9-30(23-7-6-20(26)13-22(23)28)24(15-29)18-2-4-19(25)5-3-18/h2-7,10-13,24H,8-9,14-15H2,1H3
InChIKeySSRZFXZGZBKOOT-UHFFFAOYSA-N
MW480.27 g/mol
LogP7.67
Rot. Bonds4

About 4-[(3-chloro-5-methylphenyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine

4-[(3-chloro-5-methylphenyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine (PubChem CID 11705679) has the molecular formula C24H22Cl4N2 and a molecular weight of 480.27 g/mol. Its IUPAC name is 4-[(3-chloro-5-methylphenyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine.

Molecular Properties

Compound Name4-[(3-chloro-5-methylphenyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine
PubChem CID11705679
Molecular FormulaC24H22Cl4N2
Molecular Weight480.27 g/mol
Exact Mass478.05
IUPAC Name4-[(3-chloro-5-methylphenyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine
SMILESCc1cc(Cl)cc(CN2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C24H22Cl4N2/c1-16-10-17(12-21(27)11-16)14-29-8-9-30(23-7-6-20(26)13-22(23)28)24(15-29)18-2-4-19(25)5-3-18/h2-7,10-13,24H,8-9,14-15H2,1H3
InChIKeySSRZFXZGZBKOOT-UHFFFAOYSA-N
XLogP7.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.27
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-5-methylphenyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine?
The IUPAC name of 4-[(3-chloro-5-methylphenyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine (CID 11705679) is 4-[(3-chloro-5-methylphenyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine.
What is the SMILES notation for 4-[(3-chloro-5-methylphenyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine?
The canonical SMILES for 4-[(3-chloro-5-methylphenyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine is Cc1cc(Cl)cc(CN2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)c1.
What is the InChIKey of 4-[(3-chloro-5-methylphenyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine?
The InChIKey is SSRZFXZGZBKOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl4N2/c1-16-10-17(12-21(27)11-16)14-29-8-9-30(23-7-6-20(26)13-22(23)28)24(15-29)18-2-4-19(25)5-3-18/h2-7,10-13,24H,8-9,14-15H2,1H3.
What are the key properties of 4-[(3-chloro-5-methylphenyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine?
4-[(3-chloro-5-methylphenyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine has a molecular weight of 480.27 g/mol, XLogP of 7.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-5-methylphenyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine is sourced from PubChem (CID 11705679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).