2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]amino]ethanol

C37H68N8O3 — CID 21353012

IUPAC2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESCN(c1nc(NCCO)nc(N(C)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C37H68N8O3/c1-34(2)23-27(24-35(3,4)44(34)47-29-17-13-11-14-18-29)42(9)32-39-31(38-21-22-46)40-33(41-32)43(10)28-25-36(5,6)45(37(7,8)26-28)48-30-19-15-12-16-20-30/h27-30,46H,11-26H2,1-10H3,(H,38,39,40,41)
InChIKeyAAMCHAPMLLIUDM-UHFFFAOYSA-N
MW673.00 g/mol
LogP6.72
Rot. Bonds11

About 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]amino]ethanol

2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 21353012) has the molecular formula C37H68N8O3 and a molecular weight of 673.00 g/mol. Its IUPAC name is 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID21353012
Molecular FormulaC37H68N8O3
Molecular Weight673.00 g/mol
Exact Mass672.54
IUPAC Name2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]amino]ethanol
SMILESCN(c1nc(NCCO)nc(N(C)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C37H68N8O3/c1-34(2)23-27(24-35(3,4)44(34)47-29-17-13-11-14-18-29)42(9)32-39-31(38-21-22-46)40-33(41-32)43(10)28-25-36(5,6)45(37(7,8)26-28)48-30-19-15-12-16-20-30/h27-30,46H,11-26H2,1-10H3,(H,38,39,40,41)
InChIKeyAAMCHAPMLLIUDM-UHFFFAOYSA-N
XLogP6.72
TPSA102.35 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500673.00
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]amino]ethanol (CID 21353012) is 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]amino]ethanol is CN(c1nc(NCCO)nc(N(C)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.
What is the InChIKey of 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is AAMCHAPMLLIUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H68N8O3/c1-34(2)23-27(24-35(3,4)44(34)47-29-17-13-11-14-18-29)42(9)32-39-31(38-21-22-46)40-33(41-32)43(10)28-25-36(5,6)45(37(7,8)26-28)48-30-19-15-12-16-20-30/h27-30,46H,11-26H2,1-10H3,(H,38,39,40,41).
What are the key properties of 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 673.00 g/mol, XLogP of 6.72, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 21353012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).