1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile

C156H195Cl6F3N20O13 — CID 158602656

About 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile (PubChem CID 158602656) has the molecular formula C156H195Cl6F3N20O13 and a molecular weight of 2828.11 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile.

Molecular Properties

• Compound Name: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile
• PubChem CID: 158602656
• Molecular Formula: C156H195Cl6F3N20O13
• Molecular Weight: 2828.11 g/mol
• Exact Mass: 2823.33
• IUPAC Name: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile
• SMILES: COc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1C.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)c(C#N)c1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)c(C(F)(F)F)c1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)c(C)c1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C#N
• InChI: InChI=1S/C26H31ClF3N3O2.2C26H31ClN4O2.C26H34ClN3O3.2C26H34ClN3O2/c1-18-2-11-24(23(16-18)26(28,29)30)31-20-5-9-22(10-6-20)35-17-25(34)33-14-12-32(13-15-33)21-7-3-19(27)4-8-21;1-19-2-11-25(20(16-19)17-28)29-22-5-9-24(10-6-22)33-18-26(32)31-14-12-30(13-15-31)23-7-3-21(27)4-8-23;1-19-2-5-23(16-20(19)17-28)29-22-6-10-25(11-7-22)33-18-26(32)31-14-12-30(13-15-31)24-8-3-21(27)4-9-24;1-19-3-6-22(17-25(19)32-2)28-21-7-11-24(12-8-21)33-18-26(31)30-15-13-29(14-16-30)23-9-4-20(27)5-10-23;1-19-3-12-25(20(2)17-19)28-22-6-10-24(11-7-22)32-18-26(31)30-15-13-29(14-16-30)23-8-4-21(27)5-9-23;1-19-3-6-23(17-20(19)2)28-22-7-11-25(12-8-22)32-18-26(31)30-15-13-29(14-16-30)24-9-4-21(27)5-10-24/h2-4,7-8,11,16,20,22,31H,5-6,9-10,12-15,17H2,1H3;2-4,7-8,11,16,22,24,29H,5-6,9-10,12-15,18H2,1H3;2-5,8-9,16,22,25,29H,6-7,10-15,18H2,1H3;3-6,9-10,17,21,24,28H,7-8,11-16,18H2,1-2H3;3-5,8-9,12,17,22,24,28H,6-7,10-11,13-16,18H2,1-2H3;3-6,9-10,17,22,25,28H,7-8,11-16,18H2,1-2H3
• InChIKey: HVVGZCWNLIKYMT-UHFFFAOYSA-N
• XLogP: 29.81
• TPSA: 325.67 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 37
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2828.11
LogP ≤ 5	29.81
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile?

The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile (CID 158602656) is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile.

What is the SMILES notation for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile?

The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile is COc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1C.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)c(C#N)c1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)c(C(F)(F)F)c1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)c(C)c1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1C#N.

What is the InChIKey of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile?

The InChIKey is HVVGZCWNLIKYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClF3N3O2.2C26H31ClN4O2.C26H34ClN3O3.2C26H34ClN3O2/c1-18-2-11-24(23(16-18)26(28,29)30)31-20-5-9-22(10-6-20)35-17-25(34)33-14-12-32(13-15-33)21-7-3-19(27)4-8-21;1-19-2-11-25(20(16-19)17-28)29-22-5-9-24(10-6-22)33-18-26(32)31-14-12-30(13-15-31)23-7-3-21(27)4-8-23;1-19-2-5-23(16-20(19)17-28)29-22-6-10-25(11-7-22)33-18-26(32)31-14-12-30(13-15-31)24-8-3-21(27)4-9-24;1-19-3-6-22(17-25(19)32-2)28-21-7-11-24(12-8-21)33-18-26(31)30-15-13-29(14-16-30)23-9-4-20(27)5-10-23;1-19-3-12-25(20(2)17-19)28-22-6-10-24(11-7-22)32-18-26(31)30-15-13-29(14-16-30)23-8-4-21(27)5-9-23;1-19-3-6-23(17-20(19)2)28-22-7-11-25(12-8-22)32-18-26(31)30-15-13-29(14-16-30)24-9-4-21(27)5-10-24/h2-4,7-8,11,16,20,22,31H,5-6,9-10,12-15,17H2,1H3;2-4,7-8,11,16,22,24,29H,5-6,9-10,12-15,18H2,1H3;2-5,8-9,16,22,25,29H,6-7,10-15,18H2,1H3;3-6,9-10,17,21,24,28H,7-8,11-16,18H2,1-2H3;3-5,8-9,12,17,22,24,28H,6-7,10-11,13-16,18H2,1-2H3;3-6,9-10,17,22,25,28H,7-8,11-16,18H2,1-2H3.

What are the key properties of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile?

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile has a molecular weight of 2828.11 g/mol, XLogP of 29.81, 37 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(2,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[4-methyl-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-5-methylbenzonitrile;5-[[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]cyclohexyl]amino]-2-methylbenzonitrile is sourced from PubChem (CID 158602656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).