2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1-phenylethoxymethyl)piperazine

C25H25Cl3N2O — CID 143237546

IUPAC2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1-phenylethoxymethyl)piperazine
SMILESCC(OCN1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C25H25Cl3N2O/c1-18(19-5-3-2-4-6-19)31-17-29-13-14-30(24-12-11-22(27)15-23(24)28)25(16-29)20-7-9-21(26)10-8-20/h2-12,15,18,25H,13-14,16-17H2,1H3
InChIKeyYUIFVBUXKZHSDD-UHFFFAOYSA-N
MW475.85 g/mol
LogP7.25
Rot. Bonds6

About 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1-phenylethoxymethyl)piperazine

2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1-phenylethoxymethyl)piperazine (PubChem CID 143237546) has the molecular formula C25H25Cl3N2O and a molecular weight of 475.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1-phenylethoxymethyl)piperazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1-phenylethoxymethyl)piperazine
PubChem CID143237546
Molecular FormulaC25H25Cl3N2O
Molecular Weight475.85 g/mol
Exact Mass474.10
IUPAC Name2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1-phenylethoxymethyl)piperazine
SMILESCC(OCN1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C25H25Cl3N2O/c1-18(19-5-3-2-4-6-19)31-17-29-13-14-30(24-12-11-22(27)15-23(24)28)25(16-29)20-7-9-21(26)10-8-20/h2-12,15,18,25H,13-14,16-17H2,1H3
InChIKeyYUIFVBUXKZHSDD-UHFFFAOYSA-N
XLogP7.25
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.85
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1-phenylethoxymethyl)piperazine?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1-phenylethoxymethyl)piperazine (CID 143237546) is 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1-phenylethoxymethyl)piperazine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1-phenylethoxymethyl)piperazine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1-phenylethoxymethyl)piperazine is CC(OCN1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1-phenylethoxymethyl)piperazine?
The InChIKey is YUIFVBUXKZHSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl3N2O/c1-18(19-5-3-2-4-6-19)31-17-29-13-14-30(24-12-11-22(27)15-23(24)28)25(16-29)20-7-9-21(26)10-8-20/h2-12,15,18,25H,13-14,16-17H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1-phenylethoxymethyl)piperazine?
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1-phenylethoxymethyl)piperazine has a molecular weight of 475.85 g/mol, XLogP of 7.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1-phenylethoxymethyl)piperazine is sourced from PubChem (CID 143237546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).