1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane

C30H60N6 — CID 547437

IUPAC1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane
SMILESCC1(C)CC(N2CN(C3CC(C)(C)NC(C)(C)C3)CN(C3CC(C)(C)NC(C)(C)C3)C2)CC(C)(C)N1
InChIInChI=1S/C30H60N6/c1-25(2)13-22(14-26(3,4)31-25)34-19-35(23-15-27(5,6)32-28(7,8)16-23)21-36(20-34)24-17-29(9,10)33-30(11,12)18-24/h22-24,31-33H,13-21H2,1-12H3
InChIKeyXHQJBVUCGLYKNR-UHFFFAOYSA-N
MW504.85 g/mol
LogP4.71
Rot. Bonds3

About 1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane

1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane (PubChem CID 547437) has the molecular formula C30H60N6 and a molecular weight of 504.85 g/mol. Its IUPAC name is 1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane.

Molecular Properties

Compound Name1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane
PubChem CID547437
Molecular FormulaC30H60N6
Molecular Weight504.85 g/mol
Exact Mass504.49
IUPAC Name1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane
SMILESCC1(C)CC(N2CN(C3CC(C)(C)NC(C)(C)C3)CN(C3CC(C)(C)NC(C)(C)C3)C2)CC(C)(C)N1
InChIInChI=1S/C30H60N6/c1-25(2)13-22(14-26(3,4)31-25)34-19-35(23-15-27(5,6)32-28(7,8)16-23)21-36(20-34)24-17-29(9,10)33-30(11,12)18-24/h22-24,31-33H,13-21H2,1-12H3
InChIKeyXHQJBVUCGLYKNR-UHFFFAOYSA-N
XLogP4.71
TPSA45.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.85
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane?
The IUPAC name of 1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane (CID 547437) is 1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane.
What is the SMILES notation for 1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane?
The canonical SMILES for 1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane is CC1(C)CC(N2CN(C3CC(C)(C)NC(C)(C)C3)CN(C3CC(C)(C)NC(C)(C)C3)C2)CC(C)(C)N1.
What is the InChIKey of 1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane?
The InChIKey is XHQJBVUCGLYKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60N6/c1-25(2)13-22(14-26(3,4)31-25)34-19-35(23-15-27(5,6)32-28(7,8)16-23)21-36(20-34)24-17-29(9,10)33-30(11,12)18-24/h22-24,31-33H,13-21H2,1-12H3.
What are the key properties of 1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane?
1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane has a molecular weight of 504.85 g/mol, XLogP of 4.71, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane is sourced from PubChem (CID 547437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).