2-[[4,6-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol

C39H74N6O5 — CID 19090206

IUPAC2-[[4,6-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCCCCCCON1C(C)(C)CC(Oc2nc(NCCO)nc(OC3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C39H74N6O5/c1-11-13-15-17-19-21-25-47-44-36(3,4)27-31(28-37(44,5)6)49-34-41-33(40-23-24-46)42-35(43-34)50-32-29-38(7,8)45(39(9,10)30-32)48-26-22-20-18-16-14-12-2/h31-32,46H,11-30H2,1-10H3,(H,40,41,42,43)
InChIKeyTYYXONHMJJNHMH-UHFFFAOYSA-N
MW707.06 g/mol
LogP8.66
Rot. Bonds23

About 2-[[4,6-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol

2-[[4,6-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 19090206) has the molecular formula C39H74N6O5 and a molecular weight of 707.06 g/mol. Its IUPAC name is 2-[[4,6-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4,6-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID19090206
Molecular FormulaC39H74N6O5
Molecular Weight707.06 g/mol
Exact Mass706.57
IUPAC Name2-[[4,6-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCCCCCCON1C(C)(C)CC(Oc2nc(NCCO)nc(OC3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C39H74N6O5/c1-11-13-15-17-19-21-25-47-44-36(3,4)27-31(28-37(44,5)6)49-34-41-33(40-23-24-46)42-35(43-34)50-32-29-38(7,8)45(39(9,10)30-32)48-26-22-20-18-16-14-12-2/h31-32,46H,11-30H2,1-10H3,(H,40,41,42,43)
InChIKeyTYYXONHMJJNHMH-UHFFFAOYSA-N
XLogP8.66
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500707.06
LogP ≤ 58.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-[[4,6-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4,6-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol (CID 19090206) is 2-[[4,6-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4,6-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4,6-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol is CCCCCCCCON1C(C)(C)CC(Oc2nc(NCCO)nc(OC3CC(C)(C)N(OCCCCCCCC)C(C)(C)C3)n2)CC1(C)C.
What is the InChIKey of 2-[[4,6-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is TYYXONHMJJNHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H74N6O5/c1-11-13-15-17-19-21-25-47-44-36(3,4)27-31(28-37(44,5)6)49-34-41-33(40-23-24-46)42-35(43-34)50-32-29-38(7,8)45(39(9,10)30-32)48-26-22-20-18-16-14-12-2/h31-32,46H,11-30H2,1-10H3,(H,40,41,42,43).
What are the key properties of 2-[[4,6-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4,6-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 707.06 g/mol, XLogP of 8.66, 23 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis[(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 19090206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).