1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxybutan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)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]oxypent-4-en-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione

C168H214F18N18O10S3 — CID 161286467

About 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxybutan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)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]oxypent-4-en-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxybutan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)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]oxypent-4-en-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione (PubChem CID 161286467) has the molecular formula C168H214F18N18O10S3 and a molecular weight of 3083.84 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxybutan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)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]oxypent-4-en-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione.

Molecular Properties

• Compound Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxybutan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)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]oxypent-4-en-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione
• PubChem CID: 161286467
• Molecular Formula: C168H214F18N18O10S3
• Molecular Weight: 3083.84 g/mol
• Exact Mass: 3081.57
• IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxybutan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)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]oxypent-4-en-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione
• SMILES: C=CCC(OC1CCC(Nc2ccc(C)c(C(F)(F)F)c2)CC1)C(=O)N1CCN(c2ccc(C)cc2)CC1.CCC(OC1CCC(Nc2ccc(C)c(C(F)(F)F)c2)CC1)C(=O)N1CCN(c2ccc(C)cc2)CC1.COc1ccc(N2CCN(C(=S)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=S)C(C)OC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=S)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1
• InChI: InChI=1S/C30H38F3N3O2.C29H38F3N3O2.C28H36F3N3OS.C27H34F3N3O2S.C27H34F3N3O2.C27H34F3N3OS/c1-4-5-28(29(37)36-18-16-35(17-19-36)25-12-6-21(2)7-13-25)38-26-14-10-23(11-15-26)34-24-9-8-22(3)27(20-24)30(31,32)33;1-4-27(28(36)35-17-15-34(16-18-35)24-11-5-20(2)6-12-24)37-25-13-9-22(10-14-25)33-23-8-7-21(3)26(19-23)29(30,31)32;1-19-4-10-24(11-5-19)33-14-16-34(17-15-33)27(36)21(3)35-25-12-8-22(9-13-25)32-23-7-6-20(2)26(18-23)28(29,30)31;1-19-3-4-21(17-25(19)27(28,29)30)31-20-5-9-24(10-6-20)35-18-26(36)33-15-13-32(14-16-33)22-7-11-23(34-2)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;1-19-3-9-23(10-4-19)32-13-15-33(16-14-32)26(35)18-34-24-11-7-21(8-12-24)31-22-6-5-20(2)25(17-22)27(28,29)30/h4,6-9,12-13,20,23,26,28,34H,1,5,10-11,14-19H2,2-3H3;5-8,11-12,19,22,25,27,33H,4,9-10,13-18H2,1-3H3;4-7,10-11,18,21-22,25,32H,8-9,12-17H2,1-3H3;3-4,7-8,11-12,17,20,24,31H,5-6,9-10,13-16,18H2,1-2H3;2*3-6,9-10,17,21,24,31H,7-8,11-16,18H2,1-2H3
• InChIKey: VFTZTYHIOJVYFR-UHFFFAOYSA-N
• XLogP: 36.68
• TPSA: 226.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 40
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3083.84
LogP ≤ 5	36.68
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxybutan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)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]oxypent-4-en-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione?

The IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxybutan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)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]oxypent-4-en-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione (CID 161286467) is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxybutan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)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]oxypent-4-en-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione.

What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxybutan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)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]oxypent-4-en-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione?

The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxybutan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)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]oxypent-4-en-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione is C=CCC(OC1CCC(Nc2ccc(C)c(C(F)(F)F)c2)CC1)C(=O)N1CCN(c2ccc(C)cc2)CC1.CCC(OC1CCC(Nc2ccc(C)c(C(F)(F)F)c2)CC1)C(=O)N1CCN(c2ccc(C)cc2)CC1.COc1ccc(N2CCN(C(=S)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=S)C(C)OC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=S)COC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.

What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxybutan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)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]oxypent-4-en-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione?

The InChIKey is VFTZTYHIOJVYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38F3N3O2.C29H38F3N3O2.C28H36F3N3OS.C27H34F3N3O2S.C27H34F3N3O2.C27H34F3N3OS/c1-4-5-28(29(37)36-18-16-35(17-19-36)25-12-6-21(2)7-13-25)38-26-14-10-23(11-15-26)34-24-9-8-22(3)27(20-24)30(31,32)33;1-4-27(28(36)35-17-15-34(16-18-35)24-11-5-20(2)6-12-24)37-25-13-9-22(10-14-25)33-23-8-7-21(3)26(19-23)29(30,31)32;1-19-4-10-24(11-5-19)33-14-16-34(17-15-33)27(36)21(3)35-25-12-8-22(9-13-25)32-23-7-6-20(2)26(18-23)28(29,30)31;1-19-3-4-21(17-25(19)27(28,29)30)31-20-5-9-24(10-6-20)35-18-26(36)33-15-13-32(14-16-33)22-7-11-23(34-2)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;1-19-3-9-23(10-4-19)32-13-15-33(16-14-32)26(35)18-34-24-11-7-21(8-12-24)31-22-6-5-20(2)25(17-22)27(28,29)30/h4,6-9,12-13,20,23,26,28,34H,1,5,10-11,14-19H2,2-3H3;5-8,11-12,19,22,25,27,33H,4,9-10,13-18H2,1-3H3;4-7,10-11,18,21-22,25,32H,8-9,12-17H2,1-3H3;3-4,7-8,11-12,17,20,24,31H,5-6,9-10,13-16,18H2,1-2H3;2*3-6,9-10,17,21,24,31H,7-8,11-16,18H2,1-2H3.

What are the key properties of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxybutan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)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]oxypent-4-en-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione?

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxybutan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)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]oxypent-4-en-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione has a molecular weight of 3083.84 g/mol, XLogP of 36.68, 40 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxybutan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanethione;1-[4-(4-methylphenyl)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]oxypent-4-en-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropane-1-thione is sourced from PubChem (CID 161286467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).