1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)phenyl]butoxy]ethanone

C112H150F6N12O11 — CID 160663760

About 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)phenyl]butoxy]ethanone

1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)phenyl]butoxy]ethanone (PubChem CID 160663760) has the molecular formula C112H150F6N12O11 and a molecular weight of 1954.49 g/mol. Its IUPAC name is 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)phenyl]butoxy]ethanone.

Molecular Properties

• Compound Name: 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)phenyl]butoxy]ethanone
• PubChem CID: 160663760
• Molecular Formula: C112H150F6N12O11
• Molecular Weight: 1954.49 g/mol
• Exact Mass: 1953.15
• IUPAC Name: 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)phenyl]butoxy]ethanone
• SMILES: COc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1C.Cc1ccc(N2CCN(C(=O)C(C)OC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COCCCCc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)cc1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C
• InChI: InChI=1S/C30H43N3O3.C30H43N3O2.C28H36F3N3O2.C24H28F3N3O4/c1-22-6-9-25(20-28(22)35-5)31-24-10-14-27(15-11-24)36-21-29(34)33-18-16-32(17-19-33)26-12-7-23(8-13-26)30(2,3)4;1-22-6-9-26(20-23(22)2)31-25-10-14-28(15-11-25)35-21-29(34)33-18-16-32(17-19-33)27-12-7-24(8-13-27)30(3,4)5;1-19-4-10-24(11-5-19)33-14-16-34(17-15-33)27(35)21(3)36-25-12-8-22(9-13-25)32-23-7-6-20(2)26(18-23)28(29,30)31;1-18-5-8-20(9-6-18)28-11-13-29(14-12-28)23(31)17-34-15-3-2-4-19-7-10-22(30(32)33)21(16-19)24(25,26)27/h6-9,12-13,20,24,27,31H,10-11,14-19,21H2,1-5H3;6-9,12-13,20,25,28,31H,10-11,14-19,21H2,1-5H3;4-7,10-11,18,21-22,25,32H,8-9,12-17H2,1-3H3;5-10,16H,2-4,11-15,17H2,1H3
• InChIKey: RMACCHFQBCHKIG-UHFFFAOYSA-N
• XLogP: 21.49
• TPSA: 219.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 28
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1954.49
LogP ≤ 5	21.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)phenyl]butoxy]ethanone?

The IUPAC name of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)phenyl]butoxy]ethanone (CID 160663760) is 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)phenyl]butoxy]ethanone.

What is the SMILES notation for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)phenyl]butoxy]ethanone?

The canonical SMILES for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)phenyl]butoxy]ethanone is COc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1C.Cc1ccc(N2CCN(C(=O)C(C)OC3CCC(Nc4ccc(C)c(C(F)(F)F)c4)CC3)CC2)cc1.Cc1ccc(N2CCN(C(=O)COCCCCc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)cc1.Cc1ccc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)cc1C.

What is the InChIKey of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)phenyl]butoxy]ethanone?

The InChIKey is RMACCHFQBCHKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N3O3.C30H43N3O2.C28H36F3N3O2.C24H28F3N3O4/c1-22-6-9-25(20-28(22)35-5)31-24-10-14-27(15-11-24)36-21-29(34)33-18-16-32(17-19-33)26-12-7-23(8-13-26)30(2,3)4;1-22-6-9-26(20-23(22)2)31-25-10-14-28(15-11-25)35-21-29(34)33-18-16-32(17-19-33)27-12-7-24(8-13-27)30(3,4)5;1-19-4-10-24(11-5-19)33-14-16-34(17-15-33)27(35)21(3)36-25-12-8-22(9-13-25)32-23-7-6-20(2)26(18-23)28(29,30)31;1-18-5-8-20(9-6-18)28-11-13-29(14-12-28)23(31)17-34-15-3-2-4-19-7-10-22(30(32)33)21(16-19)24(25,26)27/h6-9,12-13,20,24,27,31H,10-11,14-19,21H2,1-5H3;6-9,12-13,20,25,28,31H,10-11,14-19,21H2,1-5H3;4-7,10-11,18,21-22,25,32H,8-9,12-17H2,1-3H3;5-10,16H,2-4,11-15,17H2,1H3.

What are the key properties of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)phenyl]butoxy]ethanone?

1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)phenyl]butoxy]ethanone has a molecular weight of 1954.49 g/mol, XLogP of 21.49, 28 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3,4-dimethylanilino)cyclohexyl]oxyethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-(3-methoxy-4-methylanilino)cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxypropan-1-one;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)phenyl]butoxy]ethanone is sourced from PubChem (CID 160663760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).