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

C24H22Cl4N2 — CID 143237516

IUPAC1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[(2,4-dichlorophenyl)methyl]piperazine
SMILESCc1ccc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C24H22Cl4N2/c1-16-2-9-23(22(28)12-16)30-11-10-29(14-18-5-8-20(26)13-21(18)27)15-24(30)17-3-6-19(25)7-4-17/h2-9,12-13,24H,10-11,14-15H2,1H3
InChIKeyVXVFUBWJLFEAQO-UHFFFAOYSA-N
MW480.27 g/mol
LogP7.67
Rot. Bonds4

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

1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[(2,4-dichlorophenyl)methyl]piperazine (PubChem CID 143237516) has the molecular formula C24H22Cl4N2 and a molecular weight of 480.27 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[(2,4-dichlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[(2,4-dichlorophenyl)methyl]piperazine
PubChem CID143237516
Molecular FormulaC24H22Cl4N2
Molecular Weight480.27 g/mol
Exact Mass478.05
IUPAC Name1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[(2,4-dichlorophenyl)methyl]piperazine
SMILESCc1ccc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C24H22Cl4N2/c1-16-2-9-23(22(28)12-16)30-11-10-29(14-18-5-8-20(26)13-21(18)27)15-24(30)17-3-6-19(25)7-4-17/h2-9,12-13,24H,10-11,14-15H2,1H3
InChIKeyVXVFUBWJLFEAQO-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

Analyze 1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[(2,4-dichlorophenyl)methyl]piperazine with MolForge

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Related Compounds

(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 143237586
4-[(3-chloro-5-methylphenyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine
CID 11705679
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 11649027
2-(4-chlorophenyl)-4-[[2-[(4-chlorophenyl)methyl]phenyl]methyl]-1-(2,4-dichlorophenyl)piperazine
CID 89446711
[4-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methanol
CID 89446386
1-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)piperazine
CID 149167124
4-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline
CID 59261800
1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 143237547
1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 123768127
1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-4-[(4-fluoro-3-methylphenyl)methyl]piperazine
CID 143237964
(2R)-2-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(2,4-dichlorophenyl)piperazine
CID 58732978
(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine
CID 59261970

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[(2,4-dichlorophenyl)methyl]piperazine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[(2,4-dichlorophenyl)methyl]piperazine (CID 143237516) is 1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[(2,4-dichlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[(2,4-dichlorophenyl)methyl]piperazine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[(2,4-dichlorophenyl)methyl]piperazine is Cc1ccc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2c2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[(2,4-dichlorophenyl)methyl]piperazine?
The InChIKey is VXVFUBWJLFEAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl4N2/c1-16-2-9-23(22(28)12-16)30-11-10-29(14-18-5-8-20(26)13-21(18)27)15-24(30)17-3-6-19(25)7-4-17/h2-9,12-13,24H,10-11,14-15H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[(2,4-dichlorophenyl)methyl]piperazine?
1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[(2,4-dichlorophenyl)methyl]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 1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[(2,4-dichlorophenyl)methyl]piperazine is sourced from PubChem (CID 143237516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).