2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol

C64H122N16O6 — CID 19090186

About 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 19090186) has the molecular formula C64H122N16O6 and a molecular weight of 1211.79 g/mol. Its IUPAC name is 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
• PubChem CID: 19090186
• Molecular Formula: C64H122N16O6
• Molecular Weight: 1211.79 g/mol
• Exact Mass: 1210.97
• IUPAC Name: 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
• SMILES: CON1C(C)(C)CC(CCCCNc2nc(NCCO)nc(N(CCCCCCN(c3nc(NCCO)nc(NCCCCC4CC(C)(C)N(OC)C(C)(C)C4)n3)C3CC(C)(C)N(OC)C(C)(C)C3)C3CC(C)(C)N(OC)C(C)(C)C3)n2)CC1(C)C
• InChI: InChI=1S/C64H122N16O6/c1-57(2)39-47(40-58(3,4)77(57)83-17)29-23-25-31-65-51-69-53(67-33-37-81)73-55(71-51)75(49-43-61(9,10)79(85-19)62(11,12)44-49)35-27-21-22-28-36-76(50-45-63(13,14)80(86-20)64(15,16)46-50)56-72-52(70-54(74-56)68-34-38-82)66-32-26-24-30-48-41-59(5,6)78(84-18)60(7,8)42-48/h47-50,81-82H,21-46H2,1-20H3,(H2,65,67,69,71,73)(H2,66,68,70,72,74)
• InChIKey: VSLPEOLHYQEDMN-UHFFFAOYSA-N
• XLogP: 10.73
• TPSA: 222.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 33
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1211.79
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol?

The IUPAC name of 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol (CID 19090186) is 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol.

What is the SMILES notation for 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol?

The canonical SMILES for 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol is CON1C(C)(C)CC(CCCCNc2nc(NCCO)nc(N(CCCCCCN(c3nc(NCCO)nc(NCCCCC4CC(C)(C)N(OC)C(C)(C)C4)n3)C3CC(C)(C)N(OC)C(C)(C)C3)C3CC(C)(C)N(OC)C(C)(C)C3)n2)CC1(C)C.

What is the InChIKey of 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol?

The InChIKey is VSLPEOLHYQEDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H122N16O6/c1-57(2)39-47(40-58(3,4)77(57)83-17)29-23-25-31-65-51-69-53(67-33-37-81)73-55(71-51)75(49-43-61(9,10)79(85-19)62(11,12)44-49)35-27-21-22-28-36-76(50-45-63(13,14)80(86-20)64(15,16)46-50)56-72-52(70-54(74-56)68-34-38-82)66-32-26-24-30-48-41-59(5,6)78(84-18)60(7,8)42-48/h47-50,81-82H,21-46H2,1-20H3,(H2,65,67,69,71,73)(H2,66,68,70,72,74).

What are the key properties of 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol?

2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 1211.79 g/mol, XLogP of 10.73, 33 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 19090186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).