1-[4-(4-tert-butylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-methyl-3-(trifluoromethyl)aniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(4-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-(trifluoromethyl)aniline);bis(1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one)

C225H291ClF26N22O10 — CID 158238159

About 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-methyl-3-(trifluoromethyl)aniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(4-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-(trifluoromethyl)aniline);bis(1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one)

1-[4-(4-tert-butylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-methyl-3-(trifluoromethyl)aniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(4-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-(trifluoromethyl)aniline);bis(1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one) (PubChem CID 158238159) has the molecular formula C225H291ClF26N22O10 and a molecular weight of 3993.35 g/mol. Its IUPAC name is 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-methyl-3-(trifluoromethyl)aniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(4-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-(trifluoromethyl)aniline);bis(1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one).

Molecular Properties

• Compound Name: 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-methyl-3-(trifluoromethyl)aniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(4-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-(trifluoromethyl)aniline);bis(1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one)
• PubChem CID: 158238159
• Molecular Formula: C225H291ClF26N22O10
• Molecular Weight: 3993.35 g/mol
• Exact Mass: 3990.22
• IUPAC Name: 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-methyl-3-(trifluoromethyl)aniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(4-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-(trifluoromethyl)aniline);bis(1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one)
• SMILES: Cc1ccc(N2CCN(C(=O)CCC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)CCC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCOC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCOC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCC(CCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCC(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCC(c4ccc(F)cc4F)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCCN3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C(F)(F)F
• InChI: InChI=1S/C31H42F3N3O.C31H41F3N2O2.2C28H36F3N3O.C27H31F5N2O2.2C27H36F3N3O.C26H33ClF3N3O/c1-22-5-11-26(21-28(22)31(32,33)34)35-25-12-6-23(7-13-25)8-16-29(38)37-19-17-36(18-20-37)27-14-9-24(10-15-27)30(2,3)4;1-21-5-10-26(19-28(21)31(32,33)34)35-25-11-13-27(14-12-25)38-20-29(37)36-17-15-23(16-18-36)22-6-8-24(9-7-22)30(2,3)4;2*1-20-3-12-25(13-4-20)33-15-17-34(18-16-33)27(35)14-8-22-6-10-23(11-7-22)32-24-9-5-21(2)26(19-24)28(29,30)31;1-17-2-4-21(15-24(17)27(30,31)32)33-20-5-7-22(8-6-20)36-16-26(35)34-12-10-18(11-13-34)23-9-3-19(28)14-25(23)29;2*1-20-3-9-24(10-4-20)33-15-13-32(14-16-33)17-18-34-25-11-7-22(8-12-25)31-23-6-5-21(2)26(19-23)27(28,29)30;1-19-2-5-22(18-25(19)26(28,29)30)31-21-6-10-24(11-7-21)34-17-16-32-12-14-33(15-13-32)23-8-3-20(27)4-9-23/h5,9-11,14-15,21,23,25,35H,6-8,12-13,16-20H2,1-4H3;5-10,19,23,25,27,35H,11-18,20H2,1-4H3;2*3-5,9,12-13,19,22-23,32H,6-8,10-11,14-18H2,1-2H3;2-4,9,14-15,18,20,22,33H,5-8,10-13,16H2,1H3;2*3-6,9-10,19,22,25,31H,7-8,11-18H2,1-2H3;2-5,8-9,18,21,24,31H,6-7,10-17H2,1H3
• InChIKey: GFFLHLCWSZNHFX-UHFFFAOYSA-N
• XLogP: 52.15
• TPSA: 273.10 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 51
• Heavy Atoms: 284
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3993.35
LogP ≤ 5	52.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-methyl-3-(trifluoromethyl)aniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(4-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-(trifluoromethyl)aniline);bis(1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one)?

The IUPAC name of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-methyl-3-(trifluoromethyl)aniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(4-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-(trifluoromethyl)aniline);bis(1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one) (CID 158238159) is 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-methyl-3-(trifluoromethyl)aniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(4-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-(trifluoromethyl)aniline);bis(1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one).

What is the SMILES notation for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-methyl-3-(trifluoromethyl)aniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(4-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-(trifluoromethyl)aniline);bis(1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one)?

The canonical SMILES for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-methyl-3-(trifluoromethyl)aniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(4-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-(trifluoromethyl)aniline);bis(1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one) is Cc1ccc(N2CCN(C(=O)CCC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)CCC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCOC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(CCOC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(NC2CCC(CCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCC(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCC(=O)N3CCC(c4ccc(F)cc4F)CC3)CC2)cc1C(F)(F)F.Cc1ccc(NC2CCC(OCCN3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C(F)(F)F.

What is the InChIKey of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-methyl-3-(trifluoromethyl)aniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(4-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-(trifluoromethyl)aniline);bis(1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one)?

The InChIKey is GFFLHLCWSZNHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42F3N3O.C31H41F3N2O2.2C28H36F3N3O.C27H31F5N2O2.2C27H36F3N3O.C26H33ClF3N3O/c1-22-5-11-26(21-28(22)31(32,33)34)35-25-12-6-23(7-13-25)8-16-29(38)37-19-17-36(18-20-37)27-14-9-24(10-15-27)30(2,3)4;1-21-5-10-26(19-28(21)31(32,33)34)35-25-11-13-27(14-12-25)38-20-29(37)36-17-15-23(16-18-36)22-6-8-24(9-7-22)30(2,3)4;2*1-20-3-12-25(13-4-20)33-15-17-34(18-16-33)27(35)14-8-22-6-10-23(11-7-22)32-24-9-5-21(2)26(19-24)28(29,30)31;1-17-2-4-21(15-24(17)27(30,31)32)33-20-5-7-22(8-6-20)36-16-26(35)34-12-10-18(11-13-34)23-9-3-19(28)14-25(23)29;2*1-20-3-9-24(10-4-20)33-15-13-32(14-16-33)17-18-34-25-11-7-22(8-12-25)31-23-6-5-21(2)26(19-23)27(28,29)30;1-19-2-5-22(18-25(19)26(28,29)30)31-21-6-10-24(11-7-21)34-17-16-32-12-14-33(15-13-32)23-8-3-20(27)4-9-23/h5,9-11,14-15,21,23,25,35H,6-8,12-13,16-20H2,1-4H3;5-10,19,23,25,27,35H,11-18,20H2,1-4H3;2*3-5,9,12-13,19,22-23,32H,6-8,10-11,14-18H2,1-2H3;2-4,9,14-15,18,20,22,33H,5-8,10-13,16H2,1H3;2*3-6,9-10,19,22,25,31H,7-8,11-18H2,1-2H3;2-5,8-9,18,21,24,31H,6-7,10-17H2,1H3.

What are the key properties of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-methyl-3-(trifluoromethyl)aniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(4-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-(trifluoromethyl)aniline);bis(1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one)?

1-[4-(4-tert-butylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-methyl-3-(trifluoromethyl)aniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(4-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-(trifluoromethyl)aniline);bis(1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one) has a molecular weight of 3993.35 g/mol, XLogP of 52.15, 51 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one;1-[4-(4-tert-butylphenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethoxy]cyclohexyl]-4-methyl-3-(trifluoromethyl)aniline;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;bis(4-methyl-N-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]ethoxy]cyclohexyl]-3-(trifluoromethyl)aniline);bis(1-[4-(4-methylphenyl)piperazin-1-yl]-3-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]propan-1-one) is sourced from PubChem (CID 158238159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).