1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone

C83H105ClF9N9O9 — CID 159775479

IUPAC1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone
SMILESCc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1OC(F)(F)F.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1OC(F)(F)F.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(OC(F)(F)F)c(C)c4)CC3)CC2)cc1
InChIInChI=1S/C30H40F3N3O3.C27H34F3N3O3.C26H31ClF3N3O3/c1-21-19-24(9-14-27(21)39-30(31,32)33)34-23-7-12-26(13-8-23)38-20-28(37)36-17-15-35(16-18-36)25-10-5-22(6-11-25)29(2,3)4;1-19-3-8-23(9-4-19)32-13-15-33(16-14-32)26(34)18-35-24-10-5-21(6-11-24)31-22-7-12-25(20(2)17-22)36-27(28,29)30;1-18-16-21(6-11-24(18)36-26(28,29)30)31-20-4-9-23(10-5-20)35-17-25(34)33-14-12-32(13-15-33)22-7-2-19(27)3-8-22/h5-6,9-11,14,19,23,26,34H,7-8,12-13,15-18,20H2,1-4H3;3-4,7-9,12,17,21,24,31H,5-6,10-11,13-16,18H2,1-2H3;2-3,6-8,11,16,20,23,31H,4-5,9-10,12-15,17H2,1H3
InChIKeyNGRIRKGKKZESMP-UHFFFAOYSA-N
MW1579.24 g/mol
LogP17.21
Rot. Bonds21

About 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone

1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone (PubChem CID 159775479) has the molecular formula C83H105ClF9N9O9 and a molecular weight of 1579.24 g/mol. Its IUPAC name is 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone.

Molecular Properties

Compound Name1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone
PubChem CID159775479
Molecular FormulaC83H105ClF9N9O9
Molecular Weight1579.24 g/mol
Exact Mass1577.76
IUPAC Name1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone
SMILESCc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1OC(F)(F)F.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1OC(F)(F)F.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(OC(F)(F)F)c(C)c4)CC3)CC2)cc1
InChIInChI=1S/C30H40F3N3O3.C27H34F3N3O3.C26H31ClF3N3O3/c1-21-19-24(9-14-27(21)39-30(31,32)33)34-23-7-12-26(13-8-23)38-20-28(37)36-17-15-35(16-18-36)25-10-5-22(6-11-25)29(2,3)4;1-19-3-8-23(9-4-19)32-13-15-33(16-14-32)26(34)18-35-24-10-5-21(6-11-24)31-22-7-12-25(20(2)17-22)36-27(28,29)30;1-18-16-21(6-11-24(18)36-26(28,29)30)31-20-4-9-23(10-5-20)35-17-25(34)33-14-12-32(13-15-33)22-7-2-19(27)3-8-22/h5-6,9-11,14,19,23,26,34H,7-8,12-13,15-18,20H2,1-4H3;3-4,7-9,12,17,21,24,31H,5-6,10-11,13-16,18H2,1-2H3;2-3,6-8,11,16,20,23,31H,4-5,9-10,12-15,17H2,1H3
InChIKeyNGRIRKGKKZESMP-UHFFFAOYSA-N
XLogP17.21
TPSA162.12 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001579.24
LogP ≤ 517.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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'}

Analyze 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone with MolForge

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Related Compounds

1-[4-(4-Chlorophenyl)piperazin-1-yl]-2-[4-[4-(trifluoromethoxy)-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone
CID 44194521
1-[4-(4-Tert-butylphenyl)piperazin-1-yl]-2-[4-[4-(trifluoromethoxy)-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone
CID 44194611
2-[4-[4-Chloro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone
CID 44194696
1-[4-(4-Chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone
CID 58118010
1-[4-(4-Tert-butylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone
CID 58118150
1-[4-(4-Tert-butylphenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone
CID 58118194
1-[4-(4-Chlorophenyl)piperazin-1-yl]-2-[4-[4-(fluoromethoxy)-3-(fluoromethyl)anilino]cyclohexyl]oxyethanone
CID 70804159
1-[4-(4-Tert-butylphenyl)piperazin-1-yl]-2-[4-[3-(fluoromethyl)-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone
CID 70804186
1-[4-(4-Chlorophenyl)piperazin-1-yl]-2-[4-[4-methoxy-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone
CID 89876519
1-[4-[4-(1-Azido-2-methylpropan-2-yl)phenyl]piperazin-1-yl]-2-[4-[4-(trifluoromethoxy)-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone
CID 118654342
2-[4-[4-chloro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]piperazin-1-yl]ethanone
CID 143820537
1-[4-(4-Tert-butylphenyl)piperazin-1-yl]-2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxyethanone;2-[4-(4-chloro-3-methylanilino)cyclohexyl]oxy-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone;bis(1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone);1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxy-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone
CID 157163808

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone?
The IUPAC name of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone (CID 159775479) is 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone.
What is the SMILES notation for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone?
The canonical SMILES for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone is Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)CC2)ccc1OC(F)(F)F.Cc1cc(NC2CCC(OCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)ccc1OC(F)(F)F.Cc1ccc(N2CCN(C(=O)COC3CCC(Nc4ccc(OC(F)(F)F)c(C)c4)CC3)CC2)cc1.
What is the InChIKey of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone?
The InChIKey is NGRIRKGKKZESMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40F3N3O3.C27H34F3N3O3.C26H31ClF3N3O3/c1-21-19-24(9-14-27(21)39-30(31,32)33)34-23-7-12-26(13-8-23)38-20-28(37)36-17-15-35(16-18-36)25-10-5-22(6-11-25)29(2,3)4;1-19-3-8-23(9-4-19)32-13-15-33(16-14-32)26(34)18-35-24-10-5-21(6-11-24)31-22-7-12-25(20(2)17-22)36-27(28,29)30;1-18-16-21(6-11-24(18)36-26(28,29)30)31-20-4-9-23(10-5-20)35-17-25(34)33-14-12-32(13-15-33)22-7-2-19(27)3-8-22/h5-6,9-11,14,19,23,26,34H,7-8,12-13,15-18,20H2,1-4H3;3-4,7-9,12,17,21,24,31H,5-6,10-11,13-16,18H2,1-2H3;2-3,6-8,11,16,20,23,31H,4-5,9-10,12-15,17H2,1H3.
What are the key properties of 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone?
1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone has a molecular weight of 1579.24 g/mol, XLogP of 17.21, 21 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone;1-[4-(4-methylphenyl)piperazin-1-yl]-2-[4-[3-methyl-4-(trifluoromethoxy)anilino]cyclohexyl]oxyethanone is sourced from PubChem (CID 159775479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).