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

C92H178N16O6 — CID 19090194

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

2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 19090194) has the molecular formula C92H178N16O6 and a molecular weight of 1604.54 g/mol. Its IUPAC name is 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
• PubChem CID: 19090194
• Molecular Formula: C92H178N16O6
• Molecular Weight: 1604.54 g/mol
• Exact Mass: 1603.41
• IUPAC Name: 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol
• SMILES: CCCCCCCCON1C(C)(C)CC(C(CCC)Nc2nc(NCCO)nc(N(CCCCCCN(c3nc(NCCO)nc(NC(CCC)C4CC(C)(C)N(OCCCCCCCC)C(C)(C)C4)n3)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)n2)CC1(C)C
• InChI: InChI=1S/C92H178N16O6/c1-23-29-33-37-43-49-61-111-105-85(7,8)65-73(66-86(105,9)10)77(53-27-5)95-81-97-79(93-55-59-109)99-83(101-81)103(75-69-89(15,16)107(90(17,18)70-75)113-63-51-45-39-35-31-25-3)57-47-41-42-48-58-104(76-71-91(19,20)108(92(21,22)72-76)114-64-52-46-40-36-32-26-4)84-100-80(94-56-60-110)98-82(102-84)96-78(54-28-6)74-67-87(11,12)106(88(13,14)68-74)112-62-50-44-38-34-30-24-2/h73-78,109-110H,23-72H2,1-22H3,(H2,93,95,97,99,101)(H2,94,96,98,100,102)
• InChIKey: VUGBOXOQPYQYND-UHFFFAOYSA-N
• XLogP: 21.65
• TPSA: 222.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 59
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1604.54
LogP ≤ 5	21.65
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-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol?

The IUPAC name of 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol (CID 19090194) is 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol.

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

The canonical SMILES for 2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol is CCCCCCCCON1C(C)(C)CC(C(CCC)Nc2nc(NCCO)nc(N(CCCCCCN(c3nc(NCCO)nc(NC(CCC)C4CC(C)(C)N(OCCCCCCCC)C(C)(C)C4)n3)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)n2)CC1(C)C.

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

The InChIKey is VUGBOXOQPYQYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H178N16O6/c1-23-29-33-37-43-49-61-111-105-85(7,8)65-73(66-86(105,9)10)77(53-27-5)95-81-97-79(93-55-59-109)99-83(101-81)103(75-69-89(15,16)107(90(17,18)70-75)113-63-51-45-39-35-31-25-3)57-47-41-42-48-58-104(76-71-91(19,20)108(92(21,22)72-76)114-64-52-46-40-36-32-26-4)84-100-80(94-56-60-110)98-82(102-84)96-78(54-28-6)74-67-87(11,12)106(88(13,14)68-74)112-62-50-44-38-34-30-24-2/h73-78,109-110H,23-72H2,1-22H3,(H2,93,95,97,99,101)(H2,94,96,98,100,102).

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

2-[[4-[6-[[4-(2-hydroxyethylamino)-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 1604.54 g/mol, XLogP of 21.65, 59 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-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 19090194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).