1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone

C153H187F18N15O14 — CID 161070830

About 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone

1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone (PubChem CID 161070830) has the molecular formula C153H187F18N15O14 and a molecular weight of 2802.23 g/mol. Its IUPAC name is 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone
• PubChem CID: 161070830
• Molecular Formula: C153H187F18N15O14
• Molecular Weight: 2802.23 g/mol
• Exact Mass: 2800.41
• IUPAC Name: 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone
• SMILES: COc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)c(OC)c1.Cc1ccc(N2CC(C)N(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2C)cc1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCC(C)C)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCc5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccccc4-c4ccccc4)CC3)CC2)cc1C(F)(F)F
• InChI: InChI=1S/C34H37F6N3O3.C32H36F3N3O2.C30H40F3N3O3.C29H38F3N3O2.C28H36F3N3O4/c1-23-2-7-27(20-31(23)34(38,39)40)41-26-8-12-29(13-9-26)46-22-32(44)43-18-16-42(17-19-43)28-10-14-30(15-11-28)45-21-24-3-5-25(6-4-24)33(35,36)37;1-23-11-12-26(21-29(23)32(33,34)35)36-25-13-15-27(16-14-25)40-22-31(39)38-19-17-37(18-20-38)30-10-6-5-9-28(30)24-7-3-2-4-8-24;1-21(2)19-38-27-12-8-25(9-13-27)35-14-16-36(17-15-35)29(37)20-39-26-10-6-23(7-11-26)34-24-5-4-22(3)28(18-24)30(31,32)33;1-19-5-11-25(12-6-19)34-16-22(4)35(17-21(34)3)28(36)18-37-26-13-9-23(10-14-26)33-24-8-7-20(2)27(15-24)29(30,31)32;1-19-4-5-21(16-24(19)28(29,30)31)32-20-6-8-22(9-7-20)38-18-27(35)34-14-12-33(13-15-34)25-11-10-23(36-2)17-26(25)37-3/h2-7,10-11,14-15,20,26,29,41H,8-9,12-13,16-19,21-22H2,1H3;2-12,21,25,27,36H,13-20,22H2,1H3;4-5,8-9,12-13,18,21,23,26,34H,6-7,10-11,14-17,19-20H2,1-3H3;5-8,11-12,15,21-23,26,33H,9-10,13-14,16-18H2,1-4H3;4-5,10-11,16-17,20,22,32H,6-9,12-15,18H2,1-3H3
• InChIKey: UEQAQODWATUSRV-UHFFFAOYSA-N
• XLogP: 31.91
• TPSA: 260.97 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 39
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2802.23
LogP ≤ 5	31.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

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-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone?

The IUPAC name of 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone (CID 161070830) is 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone?

The canonical SMILES for 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone is COc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)c(OC)c1.Cc1ccc(N2CC(C)N(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2C)cc1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCC(C)C)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(OCc5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccccc4-c4ccccc4)CC3)CC2)cc1C(F)(F)F.

What is the InChIKey of 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone?

The InChIKey is UEQAQODWATUSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37F6N3O3.C32H36F3N3O2.C30H40F3N3O3.C29H38F3N3O2.C28H36F3N3O4/c1-23-2-7-27(20-31(23)34(38,39)40)41-26-8-12-29(13-9-26)46-22-32(44)43-18-16-42(17-19-43)28-10-14-30(15-11-28)45-21-24-3-5-25(6-4-24)33(35,36)37;1-23-11-12-26(21-29(23)32(33,34)35)36-25-13-15-27(16-14-25)40-22-31(39)38-19-17-37(18-20-38)30-10-6-5-9-28(30)24-7-3-2-4-8-24;1-21(2)19-38-27-12-8-25(9-13-27)35-14-16-36(17-15-35)29(37)20-39-26-10-6-23(7-11-26)34-24-5-4-22(3)28(18-24)30(31,32)33;1-19-5-11-25(12-6-19)34-16-22(4)35(17-21(34)3)28(36)18-37-26-13-9-23(10-14-26)33-24-8-7-20(2)27(15-24)29(30,31)32;1-19-4-5-21(16-24(19)28(29,30)31)32-20-6-8-22(9-7-20)38-18-27(35)34-14-12-33(13-15-34)25-11-10-23(36-2)17-26(25)37-3/h2-7,10-11,14-15,20,26,29,41H,8-9,12-13,16-19,21-22H2,1H3;2-12,21,25,27,36H,13-20,22H2,1H3;4-5,8-9,12-13,18,21,23,26,34H,6-7,10-11,14-17,19-20H2,1-3H3;5-8,11-12,15,21-23,26,33H,9-10,13-14,16-18H2,1-4H3;4-5,10-11,16-17,20,22,32H,6-9,12-15,18H2,1-3H3.

What are the key properties of 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone?

1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone has a molecular weight of 2802.23 g/mol, XLogP of 31.91, 39 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[2,5-dimethyl-4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;1-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 161070830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).