6-[ethoxy-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphosphoryl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

C32H61N8O3P — CID 88792557

IUPAC6-[ethoxy-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphosphoryl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCOP(=O)(OC1CC(C)(C)NC(C)(C)C1)c1nc(NC2CC(C)(C)NC(C)(C)C2)nc(NC2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C32H61N8O3P/c1-14-42-44(41,43-23-19-31(10,11)40-32(12,13)20-23)26-36-24(33-21-15-27(2,3)38-28(4,5)16-21)35-25(37-26)34-22-17-29(6,7)39-30(8,9)18-22/h21-23,38-40H,14-20H2,1-13H3,(H2,33,34,35,36,37)
InChIKeyXADLQSIYPNSWJA-UHFFFAOYSA-N
MW636.87 g/mol
LogP5.49
Rot. Bonds9

About 6-[ethoxy-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphosphoryl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

6-[ethoxy-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphosphoryl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 88792557) has the molecular formula C32H61N8O3P and a molecular weight of 636.87 g/mol. Its IUPAC name is 6-[ethoxy-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphosphoryl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[ethoxy-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphosphoryl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID88792557
Molecular FormulaC32H61N8O3P
Molecular Weight636.87 g/mol
Exact Mass636.46
IUPAC Name6-[ethoxy-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphosphoryl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCOP(=O)(OC1CC(C)(C)NC(C)(C)C1)c1nc(NC2CC(C)(C)NC(C)(C)C2)nc(NC2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C32H61N8O3P/c1-14-42-44(41,43-23-19-31(10,11)40-32(12,13)20-23)26-36-24(33-21-15-27(2,3)38-28(4,5)16-21)35-25(37-26)34-22-17-29(6,7)39-30(8,9)18-22/h21-23,38-40H,14-20H2,1-13H3,(H2,33,34,35,36,37)
InChIKeyXADLQSIYPNSWJA-UHFFFAOYSA-N
XLogP5.49
TPSA134.35 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500636.87
LogP ≤ 55.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 6-[ethoxy-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphosphoryl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[ethoxy-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphosphoryl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[ethoxy-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphosphoryl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 88792557) is 6-[ethoxy-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphosphoryl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[ethoxy-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphosphoryl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[ethoxy-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphosphoryl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is CCOP(=O)(OC1CC(C)(C)NC(C)(C)C1)c1nc(NC2CC(C)(C)NC(C)(C)C2)nc(NC2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of 6-[ethoxy-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphosphoryl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is XADLQSIYPNSWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H61N8O3P/c1-14-42-44(41,43-23-19-31(10,11)40-32(12,13)20-23)26-36-24(33-21-15-27(2,3)38-28(4,5)16-21)35-25(37-26)34-22-17-29(6,7)39-30(8,9)18-22/h21-23,38-40H,14-20H2,1-13H3,(H2,33,34,35,36,37).
What are the key properties of 6-[ethoxy-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphosphoryl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
6-[ethoxy-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphosphoryl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 636.87 g/mol, XLogP of 5.49, 9 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethoxy-(2,2,6,6-tetramethylpiperidin-4-yl)oxyphosphoryl]-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 88792557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).