ethyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate

C29H54N8O2 — CID 14746208

IUPACethyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(N(CC)C2CC(C)(C)NC(C)(C)C2)nc(N(CC)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C29H54N8O2/c1-12-36(20-15-26(4,5)34-27(6,7)16-20)24-31-23(30-19-22(38)39-14-3)32-25(33-24)37(13-2)21-17-28(8,9)35-29(10,11)18-21/h20-21,34-35H,12-19H2,1-11H3,(H,30,31,32,33)
InChIKeyUDHLPNHYROMQET-UHFFFAOYSA-N
MW546.81 g/mol
LogP4.12
Rot. Bonds10

About ethyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate

ethyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate (PubChem CID 14746208) has the molecular formula C29H54N8O2 and a molecular weight of 546.81 g/mol. Its IUPAC name is ethyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
PubChem CID14746208
Molecular FormulaC29H54N8O2
Molecular Weight546.81 g/mol
Exact Mass546.44
IUPAC Nameethyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(N(CC)C2CC(C)(C)NC(C)(C)C2)nc(N(CC)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C29H54N8O2/c1-12-36(20-15-26(4,5)34-27(6,7)16-20)24-31-23(30-19-22(38)39-14-3)32-25(33-24)37(13-2)21-17-28(8,9)35-29(10,11)18-21/h20-21,34-35H,12-19H2,1-11H3,(H,30,31,32,33)
InChIKeyUDHLPNHYROMQET-UHFFFAOYSA-N
XLogP4.12
TPSA107.54 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.81
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze ethyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate with MolForge

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Related Compounds

Poly[N,N'-bis(2,2,6,6-tetramethyl-4-piperidinyl)-1,6-hexanediamine-co-2,4-dichloro-6-morpholino-1,3,5-triazine]
CID 157869
Ethyl 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetate
CID 1543867
6-morpholin-4-yl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 6611169
Ethyl N-[2,4-bis(N-butyl-N-(2,2,6,6-tetramethyl-4-piperidyl)amino)-1,3,5-triazin-6-yl]glycinate
CID 14746206
Ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
CID 14746207
4-[2-[[4,6-Bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
CID 14746226
2-[2-[2-[[4,6-Bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxyethoxy]ethyl 2-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
CID 14746227
4-[2-[[4,6-Bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
CID 14746239
4-[2-[[4,6-Bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxybutyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
CID 14746240
8-[2-[[4,6-Bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxyoctyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
CID 14746241
2-[2-[2-[[4,6-Bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxyethoxy]ethyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
CID 14746242
2-[2-[2-[[4,6-Bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetyl]oxyethoxy]ethyl 2-[[4,6-bis[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate
CID 14746243

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate?
The IUPAC name of ethyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate (CID 14746208) is ethyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate is CCOC(=O)CNc1nc(N(CC)C2CC(C)(C)NC(C)(C)C2)nc(N(CC)C2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of ethyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate?
The InChIKey is UDHLPNHYROMQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H54N8O2/c1-12-36(20-15-26(4,5)34-27(6,7)16-20)24-31-23(30-19-22(38)39-14-3)32-25(33-24)37(13-2)21-17-28(8,9)35-29(10,11)18-21/h20-21,34-35H,12-19H2,1-11H3,(H,30,31,32,33).
What are the key properties of ethyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate?
ethyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate has a molecular weight of 546.81 g/mol, XLogP of 4.12, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4,6-bis[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]acetate is sourced from PubChem (CID 14746208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).