2,4,6-tributyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-1,3,5-triazine

C24H46N4 — CID 18551436

IUPAC2,4,6-tributyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-1,3,5-triazine
SMILESCCCCC1=NC(CCCC)N(C2CC(C)(C)NC(C)(C)C2)C(CCCC)=N1
InChIInChI=1S/C24H46N4/c1-8-11-14-20-25-21(15-12-9-2)28(22(26-20)16-13-10-3)19-17-23(4,5)27-24(6,7)18-19/h19,21,27H,8-18H2,1-7H3
InChIKeyJTMLBTIZPQHJCX-UHFFFAOYSA-N
MW390.66 g/mol
LogP6.30
Rot. Bonds10

About 2,4,6-tributyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-1,3,5-triazine

2,4,6-tributyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-1,3,5-triazine (PubChem CID 18551436) has the molecular formula C24H46N4 and a molecular weight of 390.66 g/mol. Its IUPAC name is 2,4,6-tributyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tributyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-1,3,5-triazine
PubChem CID18551436
Molecular FormulaC24H46N4
Molecular Weight390.66 g/mol
Exact Mass390.37
IUPAC Name2,4,6-tributyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-1,3,5-triazine
SMILESCCCCC1=NC(CCCC)N(C2CC(C)(C)NC(C)(C)C2)C(CCCC)=N1
InChIInChI=1S/C24H46N4/c1-8-11-14-20-25-21(15-12-9-2)28(22(26-20)16-13-10-3)19-17-23(4,5)27-24(6,7)18-19/h19,21,27H,8-18H2,1-7H3
InChIKeyJTMLBTIZPQHJCX-UHFFFAOYSA-N
XLogP6.30
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.66
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tributyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-1,3,5-triazine?
The IUPAC name of 2,4,6-tributyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-1,3,5-triazine (CID 18551436) is 2,4,6-tributyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tributyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-1,3,5-triazine?
The canonical SMILES for 2,4,6-tributyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-1,3,5-triazine is CCCCC1=NC(CCCC)N(C2CC(C)(C)NC(C)(C)C2)C(CCCC)=N1.
What is the InChIKey of 2,4,6-tributyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-1,3,5-triazine?
The InChIKey is JTMLBTIZPQHJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4/c1-8-11-14-20-25-21(15-12-9-2)28(22(26-20)16-13-10-3)19-17-23(4,5)27-24(6,7)18-19/h19,21,27H,8-18H2,1-7H3.
What are the key properties of 2,4,6-tributyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-1,3,5-triazine?
2,4,6-tributyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-1,3,5-triazine has a molecular weight of 390.66 g/mol, XLogP of 6.30, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tributyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)-2H-1,3,5-triazine is sourced from PubChem (CID 18551436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).