2-[4-[3,4-dimethyl-5-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone

C159H195F18N17O13S — CID 161084950

About 2-[4-[3,4-dimethyl-5-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone

2-[4-[3,4-dimethyl-5-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 161084950) has the molecular formula C159H195F18N17O13S and a molecular weight of 2926.45 g/mol. Its IUPAC name is 2-[4-[3,4-dimethyl-5-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

• Compound Name: 2-[4-[3,4-dimethyl-5-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
• PubChem CID: 161084950
• Molecular Formula: C159H195F18N17O13S
• Molecular Weight: 2926.45 g/mol
• Exact Mass: 2924.46
• IUPAC Name: 2-[4-[3,4-dimethyl-5-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
• SMILES: Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc(C(F)(F)F)c1C.Cc1ccc(NC2CCC(OC(C)(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)C(=O)C3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=S)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(OC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F
• InChI: InChI=1S/C28H36F3N3O2.C27H34F3N3O2.C26H30F3N3O3.C26H32F3N3O2.C26H32F3N3OS.C26H31F3N2O3/c1-20-9-10-22(19-25(20)28(29,30)31)32-21-11-13-24(14-12-21)36-27(2,3)26(35)34-17-15-33(16-18-34)23-7-5-4-6-8-23;1-19-16-22(17-25(20(19)2)27(28,29)30)31-21-8-10-24(11-9-21)35-18-26(34)33-14-12-32(13-15-33)23-6-4-3-5-7-23;1-18-7-8-20(15-23(18)26(27,28)29)30-19-9-11-22(12-10-19)35-17-25(34)31-13-14-32(24(33)16-31)21-5-3-2-4-6-21;1-19-7-8-21(17-24(19)26(27,28)29)30-20-9-11-23(12-10-20)34-18-25(33)32-15-13-31(14-16-32)22-5-3-2-4-6-22;1-19-7-8-21(17-24(19)26(27,28)29)30-20-9-11-23(12-10-20)33-18-25(34)32-15-13-31(14-16-32)22-5-3-2-4-6-22;1-19-7-8-23(17-24(19)26(27,28)29)34-22-11-9-21(10-12-22)33-18-25(32)31-15-13-30(14-16-31)20-5-3-2-4-6-20/h4-10,19,21,24,32H,11-18H2,1-3H3;3-7,16-17,21,24,31H,8-15,18H2,1-2H3;2-8,15,19,22,30H,9-14,16-17H2,1H3;2*2-8,17,20,23,30H,9-16,18H2,1H3;2-8,17,21-22H,9-16,18H2,1H3
• InChIKey: UGJOXPMLFHAZEX-UHFFFAOYSA-N
• XLogP: 32.00
• TPSA: 266.06 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 36
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2926.45
LogP ≤ 5	32.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,4-dimethyl-5-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?

The IUPAC name of 2-[4-[3,4-dimethyl-5-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone (CID 161084950) is 2-[4-[3,4-dimethyl-5-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone.

What is the SMILES notation for 2-[4-[3,4-dimethyl-5-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?

The canonical SMILES for 2-[4-[3,4-dimethyl-5-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone is Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc(C(F)(F)F)c1C.Cc1ccc(NC2CCC(OC(C)(C)C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)C(=O)C3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=S)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(OC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.

What is the InChIKey of 2-[4-[3,4-dimethyl-5-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?

The InChIKey is UGJOXPMLFHAZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36F3N3O2.C27H34F3N3O2.C26H30F3N3O3.C26H32F3N3O2.C26H32F3N3OS.C26H31F3N2O3/c1-20-9-10-22(19-25(20)28(29,30)31)32-21-11-13-24(14-12-21)36-27(2,3)26(35)34-17-15-33(16-18-34)23-7-5-4-6-8-23;1-19-16-22(17-25(20(19)2)27(28,29)30)31-21-8-10-24(11-9-21)35-18-26(34)33-14-12-32(13-15-33)23-6-4-3-5-7-23;1-18-7-8-20(15-23(18)26(27,28)29)30-19-9-11-22(12-10-19)35-17-25(34)31-13-14-32(24(33)16-31)21-5-3-2-4-6-21;1-19-7-8-21(17-24(19)26(27,28)29)30-20-9-11-23(12-10-20)34-18-25(33)32-15-13-31(14-16-32)22-5-3-2-4-6-22;1-19-7-8-21(17-24(19)26(27,28)29)30-20-9-11-23(12-10-20)33-18-25(34)32-15-13-31(14-16-32)22-5-3-2-4-6-22;1-19-7-8-23(17-24(19)26(27,28)29)34-22-11-9-21(10-12-22)33-18-25(32)31-15-13-30(14-16-31)20-5-3-2-4-6-20/h4-10,19,21,24,32H,11-18H2,1-3H3;3-7,16-17,21,24,31H,8-15,18H2,1-2H3;2-8,15,19,22,30H,9-14,16-17H2,1H3;2*2-8,17,20,23,30H,9-16,18H2,1H3;2-8,17,21-22H,9-16,18H2,1H3.

What are the key properties of 2-[4-[3,4-dimethyl-5-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?

2-[4-[3,4-dimethyl-5-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 2926.45 g/mol, XLogP of 32.00, 36 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3,4-dimethyl-5-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-methyl-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one;4-[2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetyl]-1-phenylpiperazin-2-one;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanethione;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[4-methyl-3-(trifluoromethyl)phenoxy]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 161084950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).