2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine

C84H154N16O6 — CID 19090198

About 2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine

2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 19090198) has the molecular formula C84H154N16O6 and a molecular weight of 1484.26 g/mol. Its IUPAC name is 2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 19090198
• Molecular Formula: C84H154N16O6
• Molecular Weight: 1484.26 g/mol
• Exact Mass: 1483.22
• IUPAC Name: 2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CCCC(Nc1nc(NCCCCCCNc2nc(NC(CCC)C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)nc(N(COC)C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)nc(N(COC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
• InChI: InChI=1S/C84H154N16O6/c1-21-39-69(61-51-77(3,4)97(78(5,6)52-61)103-65-41-29-25-30-42-65)87-73-89-71(91-75(93-73)95(59-101-19)63-55-81(11,12)99(82(13,14)56-63)105-67-45-33-27-34-46-67)85-49-37-23-24-38-50-86-72-90-74(88-70(40-22-2)62-53-79(7,8)98(80(9,10)54-62)104-66-43-31-26-32-44-66)94-76(92-72)96(60-102-20)64-57-83(15,16)100(84(17,18)58-64)106-68-47-35-28-36-48-68/h61-70H,21-60H2,1-20H3,(H2,85,87,89,91,93)(H2,86,88,90,92,94)
• InChIKey: MHWHAOCLVWTYON-UHFFFAOYSA-N
• XLogP: 18.76
• TPSA: 200.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 35
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1484.26
LogP ≤ 5	18.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 19090198) is 2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is CCCC(Nc1nc(NCCCCCCNc2nc(NC(CCC)C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)nc(N(COC)C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)nc(N(COC)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-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?

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

What are the key properties of 2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?

2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1484.26 g/mol, XLogP of 18.76, 35 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19090198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).