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

C84H154N16O6 — CID 19090220

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

2-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]hexyl]amino]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 19090220) has the molecular formula C84H154N16O6 and a molecular weight of 1484.26 g/mol. Its IUPAC name is 2-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]hexyl]amino]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]hexyl]amino]-1,3,5-triazin-2-yl]amino]ethanol
• PubChem CID: 19090220
• Molecular Formula: C84H154N16O6
• Molecular Weight: 1484.26 g/mol
• Exact Mass: 1483.22
• IUPAC Name: 2-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]hexyl]amino]-1,3,5-triazin-2-yl]amino]ethanol
• SMILES: CCCC(Nc1nc(NCCO)nc(N(CCCCCCN(c2nc(NCCO)nc(NC(CCC)C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
• InChI: InChI=1S/C84H154N16O6/c1-19-37-69(61-53-77(3,4)97(78(5,6)54-61)103-65-39-27-23-28-40-65)87-73-89-71(85-47-51-101)91-75(93-73)95(63-57-81(11,12)99(82(13,14)58-63)105-67-43-31-25-32-44-67)49-35-21-22-36-50-96(64-59-83(15,16)100(84(17,18)60-64)106-68-45-33-26-34-46-68)76-92-72(86-48-52-102)90-74(94-76)88-70(38-20-2)62-55-79(7,8)98(80(9,10)56-62)104-66-41-29-24-30-42-66/h61-70,101-102H,19-60H2,1-18H3,(H2,85,87,89,91,93)(H2,86,88,90,92,94)
• InChIKey: NQILONLXHAGZII-UHFFFAOYSA-N
• XLogP: 17.54
• TPSA: 222.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 35
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1484.26
LogP ≤ 5	17.54
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-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]hexyl]amino]-1,3,5-triazin-2-yl]amino]ethanol?

The IUPAC name of 2-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]hexyl]amino]-1,3,5-triazin-2-yl]amino]ethanol (CID 19090220) is 2-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]hexyl]amino]-1,3,5-triazin-2-yl]amino]ethanol.

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

The canonical SMILES for 2-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]hexyl]amino]-1,3,5-triazin-2-yl]amino]ethanol is CCCC(Nc1nc(NCCO)nc(N(CCCCCCN(c2nc(NCCO)nc(NC(CCC)C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.

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

The InChIKey is NQILONLXHAGZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H154N16O6/c1-19-37-69(61-53-77(3,4)97(78(5,6)54-61)103-65-39-27-23-28-40-65)87-73-89-71(85-47-51-101)91-75(93-73)95(63-57-81(11,12)99(82(13,14)58-63)105-67-43-31-25-32-44-67)49-35-21-22-36-50-96(64-59-83(15,16)100(84(17,18)60-64)106-68-45-33-26-34-46-68)76-92-72(86-48-52-102)90-74(94-76)88-70(38-20-2)62-55-79(7,8)98(80(9,10)56-62)104-66-41-29-24-30-42-66/h61-70,101-102H,19-60H2,1-18H3,(H2,85,87,89,91,93)(H2,86,88,90,92,94).

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

2-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]hexyl]amino]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 1484.26 g/mol, XLogP of 17.54, 35 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]hexyl]amino]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 19090220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).