2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethanol

C62H118N16O5 — CID 56842648

IUPAC2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethanol
SMILESCOCCCN(c1nc(NCCN(CCO)c2nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(CCCOC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C62H118N16O5/c1-55(2)37-45(38-56(3,4)70-55)75(26-21-33-80-17)51-64-49(65-52(68-51)76(27-22-34-81-18)46-39-57(5,6)71-58(7,8)40-46)63-25-30-74(31-32-79)50-66-53(77(28-23-35-82-19)47-41-59(9,10)72-60(11,12)42-47)69-54(67-50)78(29-24-36-83-20)48-43-61(13,14)73-62(15,16)44-48/h45-48,70-73,79H,21-44H2,1-20H3,(H,63,64,65,68)
InChIKeyWVAQUYPUMUIAAE-UHFFFAOYSA-N
MW1167.73 g/mol
LogP7.58
Rot. Bonds31

About 2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethanol

2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethanol (PubChem CID 56842648) has the molecular formula C62H118N16O5 and a molecular weight of 1167.73 g/mol. Its IUPAC name is 2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethanol
PubChem CID56842648
Molecular FormulaC62H118N16O5
Molecular Weight1167.73 g/mol
Exact Mass1166.95
IUPAC Name2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethanol
SMILESCOCCCN(c1nc(NCCN(CCO)c2nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(CCCOC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C62H118N16O5/c1-55(2)37-45(38-56(3,4)70-55)75(26-21-33-80-17)51-64-49(65-52(68-51)76(27-22-34-81-18)46-39-57(5,6)71-58(7,8)40-46)63-25-30-74(31-32-79)50-66-53(77(28-23-35-82-19)47-41-59(9,10)72-60(11,12)42-47)69-54(67-50)78(29-24-36-83-20)48-43-61(13,14)73-62(15,16)44-48/h45-48,70-73,79H,21-44H2,1-20H3,(H,63,64,65,68)
InChIKeyWVAQUYPUMUIAAE-UHFFFAOYSA-N
XLogP7.58
TPSA210.84 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds31
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001167.73
LogP ≤ 57.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethanol?
The IUPAC name of 2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethanol (CID 56842648) is 2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethanol.
What is the SMILES notation for 2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethanol?
The canonical SMILES for 2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethanol is COCCCN(c1nc(NCCN(CCO)c2nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCOC)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(CCCOC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethanol?
The InChIKey is WVAQUYPUMUIAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H118N16O5/c1-55(2)37-45(38-56(3,4)70-55)75(26-21-33-80-17)51-64-49(65-52(68-51)76(27-22-34-81-18)46-39-57(5,6)71-58(7,8)40-46)63-25-30-74(31-32-79)50-66-53(77(28-23-35-82-19)47-41-59(9,10)72-60(11,12)42-47)69-54(67-50)78(29-24-36-83-20)48-43-61(13,14)73-62(15,16)44-48/h45-48,70-73,79H,21-44H2,1-20H3,(H,63,64,65,68).
What are the key properties of 2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethanol?
2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethanol has a molecular weight of 1167.73 g/mol, XLogP of 7.58, 31 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[3-methoxypropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethanol is sourced from PubChem (CID 56842648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).