2,4,6-tris[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine

C30H54N6O6 — CID 22967249

IUPAC2,4,6-tris[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine
SMILESCC1(C)CC(Oc2nc(OC3CC(C)(C)N(O)C(C)(C)C3)nc(OC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O
InChIInChI=1S/C30H54N6O6/c1-25(2)13-19(14-26(3,4)34(25)37)40-22-31-23(41-20-15-27(5,6)35(38)28(7,8)16-20)33-24(32-22)42-21-17-29(9,10)36(39)30(11,12)18-21/h19-21,37-39H,13-18H2,1-12H3
InChIKeyCUCRBSAJOAUBKI-UHFFFAOYSA-N
MW594.80 g/mol
LogP5.24
Rot. Bonds6

About 2,4,6-tris[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine

2,4,6-tris[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine (PubChem CID 22967249) has the molecular formula C30H54N6O6 and a molecular weight of 594.80 g/mol. Its IUPAC name is 2,4,6-tris[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine
PubChem CID22967249
Molecular FormulaC30H54N6O6
Molecular Weight594.80 g/mol
Exact Mass594.41
IUPAC Name2,4,6-tris[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine
SMILESCC1(C)CC(Oc2nc(OC3CC(C)(C)N(O)C(C)(C)C3)nc(OC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O
InChIInChI=1S/C30H54N6O6/c1-25(2)13-19(14-26(3,4)34(25)37)40-22-31-23(41-20-15-27(5,6)35(38)28(7,8)16-20)33-24(32-22)42-21-17-29(9,10)36(39)30(11,12)18-21/h19-21,37-39H,13-18H2,1-12H3
InChIKeyCUCRBSAJOAUBKI-UHFFFAOYSA-N
XLogP5.24
TPSA136.77 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500594.80
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine?
The IUPAC name of 2,4,6-tris[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine (CID 22967249) is 2,4,6-tris[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine is CC1(C)CC(Oc2nc(OC3CC(C)(C)N(O)C(C)(C)C3)nc(OC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O.
What is the InChIKey of 2,4,6-tris[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine?
The InChIKey is CUCRBSAJOAUBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54N6O6/c1-25(2)13-19(14-26(3,4)34(25)37)40-22-31-23(41-20-15-27(5,6)35(38)28(7,8)16-20)33-24(32-22)42-21-17-29(9,10)36(39)30(11,12)18-21/h19-21,37-39H,13-18H2,1-12H3.
What are the key properties of 2,4,6-tris[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine?
2,4,6-tris[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine has a molecular weight of 594.80 g/mol, XLogP of 5.24, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy]-1,3,5-triazine is sourced from PubChem (CID 22967249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).