2-N,6-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-2-N-[6-[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-[4-[(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]hexyl]-1,3,5-triazine-2,4,6-triamine

C122H236N18O6 — CID 19090245

About 2-N,6-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-2-N-[6-[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-[4-[(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]hexyl]-1,3,5-triazine-2,4,6-triamine

2-N,6-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-2-N-[6-[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-[4-[(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]hexyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 19090245) has the molecular formula C122H236N18O6 and a molecular weight of 2051.35 g/mol. Its IUPAC name is 2-N,6-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-2-N-[6-[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-[4-[(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]hexyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N,6-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-2-N-[6-[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-[4-[(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]hexyl]-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 19090245
• Molecular Formula: C122H236N18O6
• Molecular Weight: 2051.35 g/mol
• Exact Mass: 2049.87
• IUPAC Name: 2-N,6-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-2-N-[6-[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-[4-[(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]hexyl]-1,3,5-triazine-2,4,6-triamine
• SMILES: CCCCCCCCON1C(C)(C)CC(Nc2nc(NC(CCC)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)nc(N(CCCCCCN(c3nc(NC4CC(C)(C)N(OCCCCCCCC)C(C)(C)C4)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/C122H236N18O6/c1-33-41-47-53-61-69-79-141-135-111(9,10)85-97(86-112(135,11)12)103(75-39-7)125-107-127-105(123-99-89-115(17,18)137(116(19,20)90-99)143-81-71-63-55-49-43-35-3)129-109(131-107)133(101-93-119(25,26)139(120(27,28)94-101)145-83-73-65-57-51-45-37-5)77-67-59-60-68-78-134(102-95-121(29,30)140(122(31,32)96-102)146-84-74-66-58-52-46-38-6)110-130-106(124-100-91-117(21,22)138(118(23,24)92-100)144-82-72-64-56-50-44-36-4)128-108(132-110)126-104(76-40-8)98-87-113(13,14)136(114(15,16)88-98)142-80-70-62-54-48-42-34-2/h97-104H,33-96H2,1-32H3,(H2,123,125,127,129,131)(H2,124,126,128,130,132)
• InChIKey: BRFAWIVOGONYEV-UHFFFAOYSA-N
• XLogP: 32.29
• TPSA: 206.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 73
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2051.35
LogP ≤ 5	32.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-2-N-[6-[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-[4-[(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]hexyl]-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N,6-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-2-N-[6-[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-[4-[(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]hexyl]-1,3,5-triazine-2,4,6-triamine (CID 19090245) is 2-N,6-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-2-N-[6-[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-[4-[(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]hexyl]-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N,6-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-2-N-[6-[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-[4-[(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]hexyl]-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N,6-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-2-N-[6-[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-[4-[(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]hexyl]-1,3,5-triazine-2,4,6-triamine is CCCCCCCCON1C(C)(C)CC(Nc2nc(NC(CCC)C3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)nc(N(CCCCCCN(c3nc(NC4CC(C)(C)N(OCCCCCCCC)C(C)(C)C4)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-N,6-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-2-N-[6-[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-[4-[(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]hexyl]-1,3,5-triazine-2,4,6-triamine?

The InChIKey is BRFAWIVOGONYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H236N18O6/c1-33-41-47-53-61-69-79-141-135-111(9,10)85-97(86-112(135,11)12)103(75-39-7)125-107-127-105(123-99-89-115(17,18)137(116(19,20)90-99)143-81-71-63-55-49-43-35-3)129-109(131-107)133(101-93-119(25,26)139(120(27,28)94-101)145-83-73-65-57-51-45-37-5)77-67-59-60-68-78-134(102-95-121(29,30)140(122(31,32)96-102)146-84-74-66-58-52-46-38-6)110-130-106(124-100-91-117(21,22)138(118(23,24)92-100)144-82-72-64-56-50-44-36-4)128-108(132-110)126-104(76-40-8)98-87-113(13,14)136(114(15,16)88-98)142-80-70-62-54-48-42-34-2/h97-104H,33-96H2,1-32H3,(H2,123,125,127,129,131)(H2,124,126,128,130,132).

What are the key properties of 2-N,6-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-2-N-[6-[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-[4-[(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]hexyl]-1,3,5-triazine-2,4,6-triamine?

2-N,6-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-2-N-[6-[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-[4-[(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]hexyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 2051.35 g/mol, XLogP of 32.29, 73 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,6-N-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-2-N-[6-[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-[4-[(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]hexyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19090245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).