tert-butyl 4-[3,3,3-trifluoro-2-[2-(5-hydroxypentoxy)ethoxy]propyl]piperidine-1-carboxylate;tert-butyl 4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidin-1-yl]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-methyl-7-[6-[5-[2-(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)oxyethoxy]pentoxy]-3-pyridinyl]pyrido[4,3-b]indole;hydrochloride

C164H191ClF14N20O24 — CID 158721858

About tert-butyl 4-[3,3,3-trifluoro-2-[2-(5-hydroxypentoxy)ethoxy]propyl]piperidine-1-carboxylate;tert-butyl 4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidin-1-yl]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-methyl-7-[6-[5-[2-(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)oxyethoxy]pentoxy]-3-pyridinyl]pyrido[4,3-b]indole;hydrochloride

tert-butyl 4-[3,3,3-trifluoro-2-[2-(5-hydroxypentoxy)ethoxy]propyl]piperidine-1-carboxylate;tert-butyl 4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidin-1-yl]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-methyl-7-[6-[5-[2-(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)oxyethoxy]pentoxy]-3-pyridinyl]pyrido[4,3-b]indole;hydrochloride (PubChem CID 158721858) has the molecular formula C164H191ClF14N20O24 and a molecular weight of 3127.87 g/mol. Its IUPAC name is tert-butyl 4-[3,3,3-trifluoro-2-[2-(5-hydroxypentoxy)ethoxy]propyl]piperidine-1-carboxylate;tert-butyl 4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidin-1-yl]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-methyl-7-[6-[5-[2-(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)oxyethoxy]pentoxy]-3-pyridinyl]pyrido[4,3-b]indole;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 4-[3,3,3-trifluoro-2-[2-(5-hydroxypentoxy)ethoxy]propyl]piperidine-1-carboxylate;tert-butyl 4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidin-1-yl]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-methyl-7-[6-[5-[2-(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)oxyethoxy]pentoxy]-3-pyridinyl]pyrido[4,3-b]indole;hydrochloride
• PubChem CID: 158721858
• Molecular Formula: C164H191ClF14N20O24
• Molecular Weight: 3127.87 g/mol
• Exact Mass: 3125.38
• IUPAC Name: tert-butyl 4-[3,3,3-trifluoro-2-[2-(5-hydroxypentoxy)ethoxy]propyl]piperidine-1-carboxylate;tert-butyl 4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidin-1-yl]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-methyl-7-[6-[5-[2-(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)oxyethoxy]pentoxy]-3-pyridinyl]pyrido[4,3-b]indole;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC(CC(OCCOCCCCCO)C(F)(F)F)CC1.Cl.Cn1c2ccncc2c2ccc(-c3ccc(F)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(OCCCCCOCCOC(CC4CCN(C(=O)OC(C)(C)C)CC4)C(F)(F)F)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(OCCCCCOCCOC(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C(F)(F)F)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(OCCCCCOCCOC(CC4CCNCC4)C(F)(F)F)nc3)cc21.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C45H47F3N6O7.C37H47F3N4O5.C32H39F3N4O3.C20H36F3NO5.C17H12FN3.C13H9FN2O4.ClH/c1-52-36-13-16-49-27-35(36)32-8-5-29(24-38(32)52)30-6-12-41(50-26-30)61-20-4-2-3-19-59-21-22-60-39(45(46,47)48)23-28-14-17-53(18-15-28)31-7-9-33-34(25-31)44(58)54(43(33)57)37-10-11-40(55)51-42(37)56;1-36(2,3)49-35(45)44-16-13-26(14-17-44)22-33(37(38,39)40)47-21-20-46-18-6-5-7-19-48-34-11-9-28(24-42-34)27-8-10-29-30-25-41-15-12-31(30)43(4)32(29)23-27;1-39-28-11-14-37-22-27(28)26-7-5-24(20-29(26)39)25-6-8-31(38-21-25)42-16-4-2-3-15-40-17-18-41-30(32(33,34)35)19-23-9-12-36-13-10-23;1-19(2,3)29-18(26)24-9-7-16(8-10-24)15-17(20(21,22)23)28-14-13-27-12-6-4-5-11-25;1-21-15-6-7-19-10-14(15)13-4-2-11(8-16(13)21)12-3-5-17(18)20-9-12;14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18;/h5-9,12-13,16,24-28,37,39H,2-4,10-11,14-15,17-23H2,1H3,(H,51,55,56);8-12,15,23-26,33H,5-7,13-14,16-22H2,1-4H3;5-8,11,14,20-23,30,36H,2-4,9-10,12-13,15-19H2,1H3;16-17,25H,4-15H2,1-3H3;2-10H,1H3;1-2,5,9H,3-4H2,(H,15,17,18);1H
• InChIKey: AZEPWUYXPRRRNX-UHFFFAOYSA-N
• XLogP: 30.77
• TPSA: 486.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 38
• Rotatable Bonds: 57
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3127.87
LogP ≤ 5	30.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3,3,3-trifluoro-2-[2-(5-hydroxypentoxy)ethoxy]propyl]piperidine-1-carboxylate;tert-butyl 4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidin-1-yl]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-methyl-7-[6-[5-[2-(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)oxyethoxy]pentoxy]-3-pyridinyl]pyrido[4,3-b]indole;hydrochloride?

The IUPAC name of tert-butyl 4-[3,3,3-trifluoro-2-[2-(5-hydroxypentoxy)ethoxy]propyl]piperidine-1-carboxylate;tert-butyl 4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidin-1-yl]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-methyl-7-[6-[5-[2-(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)oxyethoxy]pentoxy]-3-pyridinyl]pyrido[4,3-b]indole;hydrochloride (CID 158721858) is tert-butyl 4-[3,3,3-trifluoro-2-[2-(5-hydroxypentoxy)ethoxy]propyl]piperidine-1-carboxylate;tert-butyl 4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidin-1-yl]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-methyl-7-[6-[5-[2-(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)oxyethoxy]pentoxy]-3-pyridinyl]pyrido[4,3-b]indole;hydrochloride.

What is the SMILES notation for tert-butyl 4-[3,3,3-trifluoro-2-[2-(5-hydroxypentoxy)ethoxy]propyl]piperidine-1-carboxylate;tert-butyl 4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidin-1-yl]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-methyl-7-[6-[5-[2-(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)oxyethoxy]pentoxy]-3-pyridinyl]pyrido[4,3-b]indole;hydrochloride?

The canonical SMILES for tert-butyl 4-[3,3,3-trifluoro-2-[2-(5-hydroxypentoxy)ethoxy]propyl]piperidine-1-carboxylate;tert-butyl 4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidin-1-yl]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-methyl-7-[6-[5-[2-(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)oxyethoxy]pentoxy]-3-pyridinyl]pyrido[4,3-b]indole;hydrochloride is CC(C)(C)OC(=O)N1CCC(CC(OCCOCCCCCO)C(F)(F)F)CC1.Cl.Cn1c2ccncc2c2ccc(-c3ccc(F)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(OCCCCCOCCOC(CC4CCN(C(=O)OC(C)(C)C)CC4)C(F)(F)F)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(OCCCCCOCCOC(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C(F)(F)F)nc3)cc21.Cn1c2ccncc2c2ccc(-c3ccc(OCCCCCOCCOC(CC4CCNCC4)C(F)(F)F)nc3)cc21.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.

What is the InChIKey of tert-butyl 4-[3,3,3-trifluoro-2-[2-(5-hydroxypentoxy)ethoxy]propyl]piperidine-1-carboxylate;tert-butyl 4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidin-1-yl]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-methyl-7-[6-[5-[2-(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)oxyethoxy]pentoxy]-3-pyridinyl]pyrido[4,3-b]indole;hydrochloride?

The InChIKey is AZEPWUYXPRRRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H47F3N6O7.C37H47F3N4O5.C32H39F3N4O3.C20H36F3NO5.C17H12FN3.C13H9FN2O4.ClH/c1-52-36-13-16-49-27-35(36)32-8-5-29(24-38(32)52)30-6-12-41(50-26-30)61-20-4-2-3-19-59-21-22-60-39(45(46,47)48)23-28-14-17-53(18-15-28)31-7-9-33-34(25-31)44(58)54(43(33)57)37-10-11-40(55)51-42(37)56;1-36(2,3)49-35(45)44-16-13-26(14-17-44)22-33(37(38,39)40)47-21-20-46-18-6-5-7-19-48-34-11-9-28(24-42-34)27-8-10-29-30-25-41-15-12-31(30)43(4)32(29)23-27;1-39-28-11-14-37-22-27(28)26-7-5-24(20-29(26)39)25-6-8-31(38-21-25)42-16-4-2-3-15-40-17-18-41-30(32(33,34)35)19-23-9-12-36-13-10-23;1-19(2,3)29-18(26)24-9-7-16(8-10-24)15-17(20(21,22)23)28-14-13-27-12-6-4-5-11-25;1-21-15-6-7-19-10-14(15)13-4-2-11(8-16(13)21)12-3-5-17(18)20-9-12;14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18;/h5-9,12-13,16,24-28,37,39H,2-4,10-11,14-15,17-23H2,1H3,(H,51,55,56);8-12,15,23-26,33H,5-7,13-14,16-22H2,1-4H3;5-8,11,14,20-23,30,36H,2-4,9-10,12-13,15-19H2,1H3;16-17,25H,4-15H2,1-3H3;2-10H,1H3;1-2,5,9H,3-4H2,(H,15,17,18);1H.

What are the key properties of tert-butyl 4-[3,3,3-trifluoro-2-[2-(5-hydroxypentoxy)ethoxy]propyl]piperidine-1-carboxylate;tert-butyl 4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidin-1-yl]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-methyl-7-[6-[5-[2-(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)oxyethoxy]pentoxy]-3-pyridinyl]pyrido[4,3-b]indole;hydrochloride?

tert-butyl 4-[3,3,3-trifluoro-2-[2-(5-hydroxypentoxy)ethoxy]propyl]piperidine-1-carboxylate;tert-butyl 4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidin-1-yl]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-methyl-7-[6-[5-[2-(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)oxyethoxy]pentoxy]-3-pyridinyl]pyrido[4,3-b]indole;hydrochloride has a molecular weight of 3127.87 g/mol, XLogP of 30.77, 57 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[3,3,3-trifluoro-2-[2-(5-hydroxypentoxy)ethoxy]propyl]piperidine-1-carboxylate;tert-butyl 4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[3,3,3-trifluoro-2-[2-[5-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]pentoxy]ethoxy]propyl]piperidin-1-yl]isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-methyl-7-[6-[5-[2-(1,1,1-trifluoro-3-piperidin-4-ylpropan-2-yl)oxyethoxy]pentoxy]-3-pyridinyl]pyrido[4,3-b]indole;hydrochloride is sourced from PubChem (CID 158721858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).