2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol

C35H68N8O2 — CID 137370331

IUPAC2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
SMILESCCCCN(c1nc(N(CCO)CCO)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C35H68N8O2/c1-13-15-17-42(27-23-32(3,4)39(11)33(5,6)24-27)30-36-29(41(19-21-44)20-22-45)37-31(38-30)43(18-16-14-2)28-25-34(7,8)40(12)35(9,10)26-28/h27-28,44-45H,13-26H2,1-12H3
InChIKeyYHQUAVWBVZQVGC-UHFFFAOYSA-N
MW632.98 g/mol
LogP5.18
Rot. Bonds15

About 2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol

2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 137370331) has the molecular formula C35H68N8O2 and a molecular weight of 632.98 g/mol. Its IUPAC name is 2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
PubChem CID137370331
Molecular FormulaC35H68N8O2
Molecular Weight632.98 g/mol
Exact Mass632.55
IUPAC Name2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
SMILESCCCCN(c1nc(N(CCO)CCO)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C35H68N8O2/c1-13-15-17-42(27-23-32(3,4)39(11)33(5,6)24-27)30-36-29(41(19-21-44)20-22-45)37-31(38-30)43(18-16-14-2)28-25-34(7,8)40(12)35(9,10)26-28/h27-28,44-45H,13-26H2,1-12H3
InChIKeyYHQUAVWBVZQVGC-UHFFFAOYSA-N
XLogP5.18
TPSA95.33 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.98
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol (CID 137370331) is 2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol is CCCCN(c1nc(N(CCO)CCO)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is YHQUAVWBVZQVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H68N8O2/c1-13-15-17-42(27-23-32(3,4)39(11)33(5,6)24-27)30-36-29(41(19-21-44)20-22-45)37-31(38-30)43(18-16-14-2)28-25-34(7,8)40(12)35(9,10)26-28/h27-28,44-45H,13-26H2,1-12H3.
What are the key properties of 2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol?
2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 632.98 g/mol, XLogP of 5.18, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis[butyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 137370331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).