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

C25H25Cl3N2 — CID 11669776

IUPAC2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-phenylpropyl)piperazine
SMILESCC(CN1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C25H25Cl3N2/c1-18(19-5-3-2-4-6-19)16-29-13-14-30(24-12-11-22(27)15-23(24)28)25(17-29)20-7-9-21(26)10-8-20/h2-12,15,18,25H,13-14,16-17H2,1H3
InChIKeyCYIFFZPGHOWKFD-UHFFFAOYSA-N
MW459.85 g/mol
LogP7.31
Rot. Bonds5

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

2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-phenylpropyl)piperazine (PubChem CID 11669776) has the molecular formula C25H25Cl3N2 and a molecular weight of 459.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-phenylpropyl)piperazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-phenylpropyl)piperazine
PubChem CID11669776
Molecular FormulaC25H25Cl3N2
Molecular Weight459.85 g/mol
Exact Mass458.11
IUPAC Name2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-phenylpropyl)piperazine
SMILESCC(CN1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C25H25Cl3N2/c1-18(19-5-3-2-4-6-19)16-29-13-14-30(24-12-11-22(27)15-23(24)28)25(17-29)20-7-9-21(26)10-8-20/h2-12,15,18,25H,13-14,16-17H2,1H3
InChIKeyCYIFFZPGHOWKFD-UHFFFAOYSA-N
XLogP7.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.85
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2S)-2-(4-isocyanophenyl)propyl]piperazine
CID 123538536
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1-phenylethoxymethyl)piperazine
CID 143237546
(1R)-2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-1-(3-fluorophenyl)ethanol
CID 123871612
3-chloro-4-[2-(4-chlorophenyl)-4-[(2S)-2-(4-isocyanophenyl)propyl]piperazin-1-yl]benzonitrile
CID 123712747
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 59261926
(2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 59261610
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
(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-ethylimidazol-1-yl)propyl]piperazine
CID 123349129
(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine
CID 59261970
2-(4-chlorophenyl)-4-[[2-[(4-chlorophenyl)methyl]phenyl]methyl]-1-(2,4-dichlorophenyl)piperazine
CID 89446711

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-phenylpropyl)piperazine?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-phenylpropyl)piperazine (CID 11669776) is 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-phenylpropyl)piperazine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-phenylpropyl)piperazine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-phenylpropyl)piperazine is CC(CN1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-phenylpropyl)piperazine?
The InChIKey is CYIFFZPGHOWKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl3N2/c1-18(19-5-3-2-4-6-19)16-29-13-14-30(24-12-11-22(27)15-23(24)28)25(17-29)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-(2-phenylpropyl)piperazine?
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-phenylpropyl)piperazine has a molecular weight of 459.85 g/mol, XLogP of 7.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-phenylpropyl)piperazine is sourced from PubChem (CID 11669776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).