4-[4-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

C26H46N6O3 — CID 19991746

IUPAC4-[4-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESCCCCCCOC1CC(C)(C)N(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)C(C)(C)C1
InChIInChI=1S/C26H46N6O3/c1-6-7-8-9-14-35-21-19-25(2,3)32(26(4,5)20-21)24-28-22(30-10-15-33-16-11-30)27-23(29-24)31-12-17-34-18-13-31/h21H,6-20H2,1-5H3
InChIKeyDAMJVKPCTQMMHC-UHFFFAOYSA-N
MW490.69 g/mol
LogP3.67
Rot. Bonds9

About 4-[4-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

4-[4-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (PubChem CID 19991746) has the molecular formula C26H46N6O3 and a molecular weight of 490.69 g/mol. Its IUPAC name is 4-[4-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
PubChem CID19991746
Molecular FormulaC26H46N6O3
Molecular Weight490.69 g/mol
Exact Mass490.36
IUPAC Name4-[4-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESCCCCCCOC1CC(C)(C)N(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)C(C)(C)C1
InChIInChI=1S/C26H46N6O3/c1-6-7-8-9-14-35-21-19-25(2,3)32(26(4,5)20-21)24-28-22(30-10-15-33-16-11-30)27-23(29-24)31-12-17-34-18-13-31/h21H,6-20H2,1-5H3
InChIKeyDAMJVKPCTQMMHC-UHFFFAOYSA-N
XLogP3.67
TPSA76.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.69
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (CID 19991746) is 4-[4-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is CCCCCCOC1CC(C)(C)N(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)C(C)(C)C1.
What is the InChIKey of 4-[4-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is DAMJVKPCTQMMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N6O3/c1-6-7-8-9-14-35-21-19-25(2,3)32(26(4,5)20-21)24-28-22(30-10-15-33-16-11-30)27-23(29-24)31-12-17-34-18-13-31/h21H,6-20H2,1-5H3.
What are the key properties of 4-[4-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
4-[4-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 490.69 g/mol, XLogP of 3.67, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hexoxy-2,2,6,6-tetramethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 19991746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).