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

C42H80N10O4 — CID 163565522

IUPAC2-[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESCN1C(C)(C)CC(N(c2nc(NCCO)nc(N(C3CC(C)(C)N(O)C(C)(C)C3)C3CC(C)(C)N(O)C(C)(C)C3)n2)C2CC(C)(C)N(O)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C42H80N10O4/c1-35(2)20-28(21-36(3,4)47(35)17)48(29-22-37(5,6)50(54)38(7,8)23-29)33-44-32(43-18-19-53)45-34(46-33)49(30-24-39(9,10)51(55)40(11,12)25-30)31-26-41(13,14)52(56)42(15,16)27-31/h28-31,53-56H,18-27H2,1-17H3,(H,43,44,45,46)
InChIKeyFUVUDEAOLNLYQK-UHFFFAOYSA-N
MW789.17 g/mol
LogP6.77
Rot. Bonds9

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

2-[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 163565522) has the molecular formula C42H80N10O4 and a molecular weight of 789.17 g/mol. Its IUPAC name is 2-[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID163565522
Molecular FormulaC42H80N10O4
Molecular Weight789.17 g/mol
Exact Mass788.64
IUPAC Name2-[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESCN1C(C)(C)CC(N(c2nc(NCCO)nc(N(C3CC(C)(C)N(O)C(C)(C)C3)C3CC(C)(C)N(O)C(C)(C)C3)n2)C2CC(C)(C)N(O)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C42H80N10O4/c1-35(2)20-28(21-36(3,4)47(35)17)48(29-22-37(5,6)50(54)38(7,8)23-29)33-44-32(43-18-19-53)45-34(46-33)49(30-24-39(9,10)51(55)40(11,12)25-30)31-26-41(13,14)52(56)42(15,16)27-31/h28-31,53-56H,18-27H2,1-17H3,(H,43,44,45,46)
InChIKeyFUVUDEAOLNLYQK-UHFFFAOYSA-N
XLogP6.77
TPSA151.06 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500789.17
LogP ≤ 56.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol (CID 163565522) is 2-[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol is CN1C(C)(C)CC(N(c2nc(NCCO)nc(N(C3CC(C)(C)N(O)C(C)(C)C3)C3CC(C)(C)N(O)C(C)(C)C3)n2)C2CC(C)(C)N(O)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 2-[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is FUVUDEAOLNLYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H80N10O4/c1-35(2)20-28(21-36(3,4)47(35)17)48(29-22-37(5,6)50(54)38(7,8)23-29)33-44-32(43-18-19-53)45-34(46-33)49(30-24-39(9,10)51(55)40(11,12)25-30)31-26-41(13,14)52(56)42(15,16)27-31/h28-31,53-56H,18-27H2,1-17H3,(H,43,44,45,46).
What are the key properties of 2-[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 789.17 g/mol, XLogP of 6.77, 9 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 163565522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).