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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Related Compounds

2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-phenylpropyl)piperazine
CID 11669776
(2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 59261610
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 59261926
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 11649027
(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 143237586
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-3-methyl-2-phenylbutan-1-one
CID 59262015
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-isocyanophenyl)propyl]piperazine
CID 123538536
(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
(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine
CID 59261970
(2R)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone
CID 59261834
3-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-methylpropanoic acid
CID 123994647

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).