1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone

C169H208ClF19N18O13 — CID 159760417

About 1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone

1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone (PubChem CID 159760417) has the molecular formula C169H208ClF19N18O13 and a molecular weight of 3096.05 g/mol. Its IUPAC name is 1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone
• PubChem CID: 159760417
• Molecular Formula: C169H208ClF19N18O13
• Molecular Weight: 3096.05 g/mol
• Exact Mass: 3093.56
• IUPAC Name: 1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone
• SMILES: COc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1cc(C)c(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)c(C)c1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)c(C)c1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(-c5ccccc5)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4F)CC3)CC2)cc1C(F)(F)F
• InChI: InChI=1S/C32H36F3N3O2.C29H38F3N3O2.C28H36F3N3O2.C27H34F3N3O3.C27H34F3N3O2.C26H30ClF4N3O2/c1-23-7-10-27(21-30(23)32(33,34)35)36-26-11-15-29(16-12-26)40-22-31(39)38-19-17-37(18-20-38)28-13-8-25(9-14-28)24-5-3-2-4-6-24;1-19-15-21(3)28(22(4)16-19)35-13-11-34(12-14-35)27(36)18-37-25-9-7-23(8-10-25)33-24-6-5-20(2)26(17-24)29(30,31)32;1-19-4-11-26(21(3)16-19)33-12-14-34(15-13-33)27(35)18-36-24-9-7-22(8-10-24)32-23-6-5-20(2)25(17-23)28(29,30)31;1-19-3-4-21(17-25(19)27(28,29)30)31-20-5-9-24(10-6-20)36-18-26(34)33-15-13-32(14-16-33)22-7-11-23(35-2)12-8-22;1-19-3-9-23(10-4-19)32-13-15-33(16-14-32)26(34)18-35-24-11-7-21(8-12-24)31-22-6-5-20(2)25(17-22)27(28,29)30;1-17-2-4-20(15-22(17)26(29,30)31)32-19-5-7-21(8-6-19)36-16-25(35)34-12-10-33(11-13-34)24-9-3-18(27)14-23(24)28/h2-10,13-14,21,26,29,36H,11-12,15-20,22H2,1H3;5-6,15-17,23,25,33H,7-14,18H2,1-4H3;4-6,11,16-17,22,24,32H,7-10,12-15,18H2,1-3H3;3-4,7-8,11-12,17,20,24,31H,5-6,9-10,13-16,18H2,1-2H3;3-6,9-10,17,21,24,31H,7-8,11-16,18H2,1-2H3;2-4,9,14-15,19,21,32H,5-8,10-13,16H2,1H3
• InChIKey: NEUNRPZGZLFSSR-UHFFFAOYSA-N
• XLogP: 34.93
• TPSA: 278.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 38
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3096.05
LogP ≤ 5	34.93
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone?

The IUPAC name of 1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone (CID 159760417) is 1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone.

What is the SMILES notation for 1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone?

The canonical SMILES for 1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone is COc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1cc(C)c(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)c(C)c1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)c(C)c1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(-c5ccccc5)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4F)CC3)CC2)cc1C(F)(F)F.

What is the InChIKey of 1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone?

The InChIKey is NEUNRPZGZLFSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F3N3O2.C29H38F3N3O2.C28H36F3N3O2.C27H34F3N3O3.C27H34F3N3O2.C26H30ClF4N3O2/c1-23-7-10-27(21-30(23)32(33,34)35)36-26-11-15-29(16-12-26)40-22-31(39)38-19-17-37(18-20-38)28-13-8-25(9-14-28)24-5-3-2-4-6-24;1-19-15-21(3)28(22(4)16-19)35-13-11-34(12-14-35)27(36)18-37-25-9-7-23(8-10-25)33-24-6-5-20(2)26(17-24)29(30,31)32;1-19-4-11-26(21(3)16-19)33-12-14-34(15-13-33)27(35)18-36-24-9-7-22(8-10-24)32-23-6-5-20(2)25(17-23)28(29,30)31;1-19-3-4-21(17-25(19)27(28,29)30)31-20-5-9-24(10-6-20)36-18-26(34)33-15-13-32(14-16-33)22-7-11-23(35-2)12-8-22;1-19-3-9-23(10-4-19)32-13-15-33(16-14-32)26(34)18-35-24-11-7-21(8-12-24)31-22-6-5-20(2)25(17-22)27(28,29)30;1-17-2-4-20(15-22(17)26(29,30)31)32-19-5-7-21(8-6-19)36-16-25(35)34-12-10-33(11-13-34)24-9-3-18(27)14-23(24)28/h2-10,13-14,21,26,29,36H,11-12,15-20,22H2,1H3;5-6,15-17,23,25,33H,7-14,18H2,1-4H3;4-6,11,16-17,22,24,32H,7-10,12-15,18H2,1-3H3;3-4,7-8,11-12,17,20,24,31H,5-6,9-10,13-16,18H2,1-2H3;3-6,9-10,17,21,24,31H,7-8,11-16,18H2,1-2H3;2-4,9,14-15,19,21,32H,5-8,10-13,16H2,1H3.

What are the key properties of 1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone?

1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone has a molecular weight of 3096.05 g/mol, XLogP of 34.93, 38 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 159760417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).