2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-ethyl-6-methylcyclohexyl)piperazine

C25H31Cl3N2 — CID 70903712

IUPAC2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-ethyl-6-methylcyclohexyl)piperazine
SMILESCCC1CCCC(C)C1N1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C25H31Cl3N2/c1-3-18-6-4-5-17(2)25(18)29-13-14-30(23-12-11-21(27)15-22(23)28)24(16-29)19-7-9-20(26)10-8-19/h7-12,15,17-18,24-25H,3-6,13-14,16H2,1-2H3
InChIKeyQAQLUFYOLZYJRB-UHFFFAOYSA-N
MW465.90 g/mol
LogP7.72
Rot. Bonds4

About 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-ethyl-6-methylcyclohexyl)piperazine

2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-ethyl-6-methylcyclohexyl)piperazine (PubChem CID 70903712) has the molecular formula C25H31Cl3N2 and a molecular weight of 465.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-ethyl-6-methylcyclohexyl)piperazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-ethyl-6-methylcyclohexyl)piperazine
PubChem CID70903712
Molecular FormulaC25H31Cl3N2
Molecular Weight465.90 g/mol
Exact Mass464.16
IUPAC Name2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-ethyl-6-methylcyclohexyl)piperazine
SMILESCCC1CCCC(C)C1N1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C25H31Cl3N2/c1-3-18-6-4-5-17(2)25(18)29-13-14-30(23-12-11-21(27)15-22(23)28)24(16-29)19-7-9-20(26)10-8-19/h7-12,15,17-18,24-25H,3-6,13-14,16H2,1-2H3
InChIKeyQAQLUFYOLZYJRB-UHFFFAOYSA-N
XLogP7.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.90
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[4-(2-methylbutan-2-yl)cyclohexyl]piperazine
CID 59261645
1-[4-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 11496417
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine
CID 71176112
(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 143237586
2-(4-chlorophenyl)-4-[[2-[(4-chlorophenyl)methyl]phenyl]methyl]-1-(2,4-dichlorophenyl)piperazine;2-(4-chlorophenyl)-4-cyclobutyl-1-(2,4-dichlorophenyl)piperazine;2-(4-chlorophenyl)-4-cyclopentyl-1-(2,4-dichlorophenyl)piperazine;2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-methylcyclopentyl)piperazine;2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(3-methylcyclopentyl)piperazine
CID 158299315
1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 123768127
4-[(3-chloro-5-methylphenyl)methyl]-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperazine
CID 11705679
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 11649027
(2S)-2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]butan-1-one
CID 143237811
1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 59261899
2-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol
CID 25164951
(2S,4R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-amine
CID 58956932

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-ethyl-6-methylcyclohexyl)piperazine?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-ethyl-6-methylcyclohexyl)piperazine (CID 70903712) is 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-ethyl-6-methylcyclohexyl)piperazine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-ethyl-6-methylcyclohexyl)piperazine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-ethyl-6-methylcyclohexyl)piperazine is CCC1CCCC(C)C1N1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-ethyl-6-methylcyclohexyl)piperazine?
The InChIKey is QAQLUFYOLZYJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31Cl3N2/c1-3-18-6-4-5-17(2)25(18)29-13-14-30(23-12-11-21(27)15-22(23)28)24(16-29)19-7-9-20(26)10-8-19/h7-12,15,17-18,24-25H,3-6,13-14,16H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-ethyl-6-methylcyclohexyl)piperazine?
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(2-ethyl-6-methylcyclohexyl)piperazine has a molecular weight of 465.90 g/mol, XLogP of 7.72, 4 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-ethyl-6-methylcyclohexyl)piperazine is sourced from PubChem (CID 70903712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).