[4-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[6-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium

C66H130N18O6+6 — CID 163959645

About [4-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[6-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium

[4-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[6-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium (PubChem CID 163959645) has the molecular formula C66H130N18O6+6 and a molecular weight of 1271.89 g/mol. Its IUPAC name is [4-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[6-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium.

Molecular Properties

• Compound Name: [4-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[6-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
• PubChem CID: 163959645
• Molecular Formula: C66H130N18O6+6
• Molecular Weight: 1271.89 g/mol
• Exact Mass: 1271.04
• IUPAC Name: [4-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[6-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
• SMILES: CC1(C)CC(Nc2nc(NC3CC(C)(C)N([OH2+])C(C)(C)C3)nc(N(CCCCCCN(c3nc(NC4CC(C)(C)N([OH2+])C(C)(C)C4)nc(NC4CC(C)(C)N([OH2+])C(C)(C)C4)n3)C3CC(C)(C)N([OH2+])C(C)(C)C3)C3CC(C)(C)N([OH2+])C(C)(C)C3)n2)CC(C)(C)N1[OH2+]
• InChI: InChI=1S/C66H124N18O6/c1-55(2)31-43(32-56(3,4)79(55)85)67-49-71-50(68-44-33-57(5,6)80(86)58(7,8)34-44)74-53(73-49)77(47-39-63(17,18)83(89)64(19,20)40-47)29-27-25-26-28-30-78(48-41-65(21,22)84(90)66(23,24)42-48)54-75-51(69-45-35-59(9,10)81(87)60(11,12)36-45)72-52(76-54)70-46-37-61(13,14)82(88)62(15,16)38-46/h43-48,85-90H,25-42H2,1-24H3,(H2,67,68,71,73,74)(H2,69,70,72,75,76)/p+6
• InChIKey: SGJJDXLKIBIDTG-UHFFFAOYSA-T
• XLogP: 7.54
• TPSA: 288.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1271.89
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[6-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?

The IUPAC name of [4-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[6-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium (CID 163959645) is [4-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[6-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium.

What is the SMILES notation for [4-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[6-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?

The canonical SMILES for [4-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[6-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium is CC1(C)CC(Nc2nc(NC3CC(C)(C)N([OH2+])C(C)(C)C3)nc(N(CCCCCCN(c3nc(NC4CC(C)(C)N([OH2+])C(C)(C)C4)nc(NC4CC(C)(C)N([OH2+])C(C)(C)C4)n3)C3CC(C)(C)N([OH2+])C(C)(C)C3)C3CC(C)(C)N([OH2+])C(C)(C)C3)n2)CC(C)(C)N1[OH2+].

What is the InChIKey of [4-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[6-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?

The InChIKey is SGJJDXLKIBIDTG-UHFFFAOYSA-T. The full InChI is InChI=1S/C66H124N18O6/c1-55(2)31-43(32-56(3,4)79(55)85)67-49-71-50(68-44-33-57(5,6)80(86)58(7,8)34-44)74-53(73-49)77(47-39-63(17,18)83(89)64(19,20)40-47)29-27-25-26-28-30-78(48-41-65(21,22)84(90)66(23,24)42-48)54-75-51(69-45-35-59(9,10)81(87)60(11,12)36-45)72-52(76-54)70-46-37-61(13,14)82(88)62(15,16)38-46/h43-48,85-90H,25-42H2,1-24H3,(H2,67,68,71,73,74)(H2,69,70,72,75,76)/p+6.

What are the key properties of [4-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[6-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?

[4-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[6-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium has a molecular weight of 1271.89 g/mol, XLogP of 7.54, 19 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[6-[[4,6-bis[(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-oxoniopiperidin-4-yl)amino]hexyl]amino]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium is sourced from PubChem (CID 163959645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).