6-fluoro-2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

C30H55FN8O3 — CID 90694902

IUPAC6-fluoro-2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(Nc2nc(F)nc(N(C3CC(C)(C)N(O)C(C)(C)C3)C3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O
InChIInChI=1S/C30H55FN8O3/c1-25(2)13-19(14-26(3,4)37(25)40)32-23-33-22(31)34-24(35-23)36(20-15-27(5,6)38(41)28(7,8)16-20)21-17-29(9,10)39(42)30(11,12)18-21/h19-21,40-42H,13-18H2,1-12H3,(H,32,33,34,35)
InChIKeyDJKASSZAYFELBW-UHFFFAOYSA-N
MW594.82 g/mol
LogP5.46
Rot. Bonds5

About 6-fluoro-2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

6-fluoro-2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 90694902) has the molecular formula C30H55FN8O3 and a molecular weight of 594.82 g/mol. Its IUPAC name is 6-fluoro-2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-fluoro-2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID90694902
Molecular FormulaC30H55FN8O3
Molecular Weight594.82 g/mol
Exact Mass594.44
IUPAC Name6-fluoro-2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(Nc2nc(F)nc(N(C3CC(C)(C)N(O)C(C)(C)C3)C3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O
InChIInChI=1S/C30H55FN8O3/c1-25(2)13-19(14-26(3,4)37(25)40)32-23-33-22(31)34-24(35-23)36(20-15-27(5,6)38(41)28(7,8)16-20)21-17-29(9,10)39(42)30(11,12)18-21/h19-21,40-42H,13-18H2,1-12H3,(H,32,33,34,35)
InChIKeyDJKASSZAYFELBW-UHFFFAOYSA-N
XLogP5.46
TPSA124.35 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500594.82
LogP ≤ 55.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-fluoro-2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 90694902) is 6-fluoro-2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-fluoro-2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-fluoro-2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is CC1(C)CC(Nc2nc(F)nc(N(C3CC(C)(C)N(O)C(C)(C)C3)C3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O.
What is the InChIKey of 6-fluoro-2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DJKASSZAYFELBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H55FN8O3/c1-25(2)13-19(14-26(3,4)37(25)40)32-23-33-22(31)34-24(35-23)36(20-15-27(5,6)38(41)28(7,8)16-20)21-17-29(9,10)39(42)30(11,12)18-21/h19-21,40-42H,13-18H2,1-12H3,(H,32,33,34,35).
What are the key properties of 6-fluoro-2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
6-fluoro-2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 594.82 g/mol, XLogP of 5.46, 5 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 90694902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).