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

C36H60N8O4 — CID 91253252

IUPAC2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(Nc2nc(Oc3ccccc3)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/C36H60N8O4/c1-31(2)18-24(19-32(3,4)42(31)45)37-28-38-29(40-30(39-28)48-27-16-14-13-15-17-27)41(25-20-33(5,6)43(46)34(7,8)21-25)26-22-35(9,10)44(47)36(11,12)23-26/h13-17,24-26,45-47H,18-23H2,1-12H3,(H,37,38,39,40)
InChIKeyUAVVOAIPZOQCNO-UHFFFAOYSA-N
MW668.93 g/mol
LogP7.11
Rot. Bonds7

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

2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine (PubChem CID 91253252) has the molecular formula C36H60N8O4 and a molecular weight of 668.93 g/mol. Its IUPAC name is 2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine
PubChem CID91253252
Molecular FormulaC36H60N8O4
Molecular Weight668.93 g/mol
Exact Mass668.47
IUPAC Name2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(Nc2nc(Oc3ccccc3)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/C36H60N8O4/c1-31(2)18-24(19-32(3,4)42(31)45)37-28-38-29(40-30(39-28)48-27-16-14-13-15-17-27)41(25-20-33(5,6)43(46)34(7,8)21-25)26-22-35(9,10)44(47)36(11,12)23-26/h13-17,24-26,45-47H,18-23H2,1-12H3,(H,37,38,39,40)
InChIKeyUAVVOAIPZOQCNO-UHFFFAOYSA-N
XLogP7.11
TPSA133.58 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500668.93
LogP ≤ 57.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine (CID 91253252) is 2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine is CC1(C)CC(Nc2nc(Oc3ccccc3)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 2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is UAVVOAIPZOQCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H60N8O4/c1-31(2)18-24(19-32(3,4)42(31)45)37-28-38-29(40-30(39-28)48-27-16-14-13-15-17-27)41(25-20-33(5,6)43(46)34(7,8)21-25)26-22-35(9,10)44(47)36(11,12)23-26/h13-17,24-26,45-47H,18-23H2,1-12H3,(H,37,38,39,40).
What are the key properties of 2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 668.93 g/mol, XLogP of 7.11, 7 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-tris(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 91253252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).