[4-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methanol

C24H23Cl3N2O — CID 89446386

IUPAC[4-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methanol
SMILESOCc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C24H23Cl3N2O/c25-20-7-5-19(6-8-20)24-15-28(14-17-1-3-18(16-30)4-2-17)11-12-29(24)23-10-9-21(26)13-22(23)27/h1-10,13,24,30H,11-12,14-16H2
InChIKeyOWDPYRAXDQBCDT-UHFFFAOYSA-N
MW461.82 g/mol
LogP6.20
Rot. Bonds5

About [4-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methanol

[4-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methanol (PubChem CID 89446386) has the molecular formula C24H23Cl3N2O and a molecular weight of 461.82 g/mol. Its IUPAC name is [4-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methanol
PubChem CID89446386
Molecular FormulaC24H23Cl3N2O
Molecular Weight461.82 g/mol
Exact Mass460.09
IUPAC Name[4-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methanol
SMILESOCc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C24H23Cl3N2O/c25-20-7-5-19(6-8-20)24-15-28(14-17-1-3-18(16-30)4-2-17)11-12-29(24)23-10-9-21(26)13-22(23)27/h1-10,13,24,30H,11-12,14-16H2
InChIKeyOWDPYRAXDQBCDT-UHFFFAOYSA-N
XLogP6.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.82
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methanol (CID 89446386) is [4-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methanol is OCc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of [4-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methanol?
The InChIKey is OWDPYRAXDQBCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl3N2O/c25-20-7-5-19(6-8-20)24-15-28(14-17-1-3-18(16-30)4-2-17)11-12-29(24)23-10-9-21(26)13-22(23)27/h1-10,13,24,30H,11-12,14-16H2.
What are the key properties of [4-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methanol?
[4-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methanol has a molecular weight of 461.82 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 89446386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).