1-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)piperazine

C24H23Cl2FN2 — CID 149167124

IUPAC1-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)piperazine
SMILESCc1ccc(C2CN(Cc3cccc(F)c3)CCN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H23Cl2FN2/c1-17-5-7-19(8-6-17)24-16-28(15-18-3-2-4-21(27)13-18)11-12-29(24)23-10-9-20(25)14-22(23)26/h2-10,13-14,24H,11-12,15-16H2,1H3
InChIKeyWYIIBHPGXSEPQS-UHFFFAOYSA-N
MW429.37 g/mol
LogP6.50
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)piperazine

1-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)piperazine (PubChem CID 149167124) has the molecular formula C24H23Cl2FN2 and a molecular weight of 429.37 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)piperazine
PubChem CID149167124
Molecular FormulaC24H23Cl2FN2
Molecular Weight429.37 g/mol
Exact Mass428.12
IUPAC Name1-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)piperazine
SMILESCc1ccc(C2CN(Cc3cccc(F)c3)CCN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H23Cl2FN2/c1-17-5-7-19(8-6-17)24-16-28(15-18-3-2-4-21(27)13-18)11-12-29(24)23-10-9-20(25)14-22(23)26/h2-10,13-14,24H,11-12,15-16H2,1H3
InChIKeyWYIIBHPGXSEPQS-UHFFFAOYSA-N
XLogP6.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.37
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 143237586
1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-4-[(4-fluoro-3-methylphenyl)methyl]piperazine
CID 143237964
4-[(3-chloro-5-methylphenyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine
CID 11705679
1-(2-chloro-4-methylphenyl)-2-(4-chlorophenyl)-4-[(2,4-dichlorophenyl)methyl]piperazine
CID 143237516
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 11649027
[4-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methanol
CID 89446386
4-[[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylaniline
CID 59261800
(1R)-2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-1-(3-fluorophenyl)ethanol
CID 123871612
2-(4-chlorophenyl)-4-[[2-[(4-chlorophenyl)methyl]phenyl]methyl]-1-(2,4-dichlorophenyl)piperazine
CID 89446711
4-[(3-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine
CID 22199602
(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine
CID 59261970
1-(2,4-dichlorophenyl)-2-(4-methylphenyl)piperazine
CID 59261442

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)piperazine?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)piperazine (CID 149167124) is 1-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)piperazine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)piperazine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)piperazine is Cc1ccc(C2CN(Cc3cccc(F)c3)CCN2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)piperazine?
The InChIKey is WYIIBHPGXSEPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2FN2/c1-17-5-7-19(8-6-17)24-16-28(15-18-3-2-4-21(27)13-18)11-12-29(24)23-10-9-20(25)14-22(23)26/h2-10,13-14,24H,11-12,15-16H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)piperazine?
1-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)piperazine has a molecular weight of 429.37 g/mol, XLogP of 6.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)piperazine is sourced from PubChem (CID 149167124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).