tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;4-[(2-chlorophenyl)methyl]piperidine;5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]indole

C110H122Cl3F9N8O8 — CID 158200764

About tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;4-[(2-chlorophenyl)methyl]piperidine;5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]indole

tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;4-[(2-chlorophenyl)methyl]piperidine;5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]indole (PubChem CID 158200764) has the molecular formula C110H122Cl3F9N8O8 and a molecular weight of 1961.57 g/mol. Its IUPAC name is tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;4-[(2-chlorophenyl)methyl]piperidine;5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]indole.

Molecular Properties

• Compound Name: tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;4-[(2-chlorophenyl)methyl]piperidine;5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]indole
• PubChem CID: 158200764
• Molecular Formula: C110H122Cl3F9N8O8
• Molecular Weight: 1961.57 g/mol
• Exact Mass: 1958.83
• IUPAC Name: tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;4-[(2-chlorophenyl)methyl]piperidine;5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]indole
• SMILES: CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(C=O)ccc32)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCC(Cc5ccccc5Cl)CC4)ccc32)CC1.Clc1ccccc1CC1CCNCC1.FC(F)(F)Oc1ccc(-c2cn(C3CCCCC3)c3ccc(CN4CCC(Cc5ccccc5Cl)CC4)cc23)cc1
• InChI: InChI=1S/C38H43ClF3N3O3.C34H36ClF3N2O.C26H27F3N2O4.C12H16ClN/c1-37(2,3)48-36(46)44-20-16-30(17-21-44)45-25-33(28-9-11-31(12-10-28)47-38(40,41)42)32-23-27(8-13-35(32)45)24-43-18-14-26(15-19-43)22-29-6-4-5-7-34(29)39;35-32-9-5-4-6-27(32)20-24-16-18-39(19-17-24)22-25-10-15-33-30(21-25)31(23-40(33)28-7-2-1-3-8-28)26-11-13-29(14-12-26)41-34(36,37)38;1-25(2,3)35-24(33)30-12-10-19(11-13-30)31-15-22(21-14-17(16-32)4-9-23(21)31)18-5-7-20(8-6-18)34-26(27,28)29;13-12-4-2-1-3-11(12)9-10-5-7-14-8-6-10/h4-13,23,25-26,30H,14-22,24H2,1-3H3;4-6,9-15,21,23-24,28H,1-3,7-8,16-20,22H2;4-9,14-16,19H,10-13H2,1-3H3;1-4,10,14H,5-9H2
• InChIKey: GAXCAGUFJZWQLJ-UHFFFAOYSA-N
• XLogP: 29.18
• TPSA: 137.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1961.57
LogP ≤ 5	29.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;4-[(2-chlorophenyl)methyl]piperidine;5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]indole?

The IUPAC name of tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;4-[(2-chlorophenyl)methyl]piperidine;5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]indole (CID 158200764) is tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;4-[(2-chlorophenyl)methyl]piperidine;5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]indole.

What is the SMILES notation for tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;4-[(2-chlorophenyl)methyl]piperidine;5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]indole?

The canonical SMILES for tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;4-[(2-chlorophenyl)methyl]piperidine;5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]indole is CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(C=O)ccc32)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCC(Cc5ccccc5Cl)CC4)ccc32)CC1.Clc1ccccc1CC1CCNCC1.FC(F)(F)Oc1ccc(-c2cn(C3CCCCC3)c3ccc(CN4CCC(Cc5ccccc5Cl)CC4)cc23)cc1.

What is the InChIKey of tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;4-[(2-chlorophenyl)methyl]piperidine;5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]indole?

The InChIKey is GAXCAGUFJZWQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43ClF3N3O3.C34H36ClF3N2O.C26H27F3N2O4.C12H16ClN/c1-37(2,3)48-36(46)44-20-16-30(17-21-44)45-25-33(28-9-11-31(12-10-28)47-38(40,41)42)32-23-27(8-13-35(32)45)24-43-18-14-26(15-19-43)22-29-6-4-5-7-34(29)39;35-32-9-5-4-6-27(32)20-24-16-18-39(19-17-24)22-25-10-15-33-30(21-25)31(23-40(33)28-7-2-1-3-8-28)26-11-13-29(14-12-26)41-34(36,37)38;1-25(2,3)35-24(33)30-12-10-19(11-13-30)31-15-22(21-14-17(16-32)4-9-23(21)31)18-5-7-20(8-6-18)34-26(27,28)29;13-12-4-2-1-3-11(12)9-10-5-7-14-8-6-10/h4-13,23,25-26,30H,14-22,24H2,1-3H3;4-6,9-15,21,23-24,28H,1-3,7-8,16-20,22H2;4-9,14-16,19H,10-13H2,1-3H3;1-4,10,14H,5-9H2.

What are the key properties of tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;4-[(2-chlorophenyl)methyl]piperidine;5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]indole?

tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;4-[(2-chlorophenyl)methyl]piperidine;5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]indole has a molecular weight of 1961.57 g/mol, XLogP of 29.18, 20 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]piperidine-1-carboxylate;4-[(2-chlorophenyl)methyl]piperidine;5-[[4-[(2-chlorophenyl)methyl]piperidin-1-yl]methyl]-1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]indole is sourced from PubChem (CID 158200764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).