1-[8-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-ol

C26H52N2O4 — CID 15169996

IUPAC1-[8-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1OCCCCCCCCON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C26H52N2O4/c1-23(2)17-21(29)18-24(3,4)27(23)31-15-13-11-9-10-12-14-16-32-28-25(5,6)19-22(30)20-26(28,7)8/h21-22,29-30H,9-20H2,1-8H3
InChIKeyIETSYUFKHHMOJU-UHFFFAOYSA-N
MW456.71 g/mol
LogP5.22
Rot. Bonds11

About 1-[8-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-ol

1-[8-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 15169996) has the molecular formula C26H52N2O4 and a molecular weight of 456.71 g/mol. Its IUPAC name is 1-[8-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[8-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID15169996
Molecular FormulaC26H52N2O4
Molecular Weight456.71 g/mol
Exact Mass456.39
IUPAC Name1-[8-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1OCCCCCCCCON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C26H52N2O4/c1-23(2)17-21(29)18-24(3,4)27(23)31-15-13-11-9-10-12-14-16-32-28-25(5,6)19-22(30)20-26(28,7)8/h21-22,29-30H,9-20H2,1-8H3
InChIKeyIETSYUFKHHMOJU-UHFFFAOYSA-N
XLogP5.22
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.71
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1-[8-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 1-[8-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-ol (CID 15169996) is 1-[8-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-[8-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-[8-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-ol is CC1(C)CC(O)CC(C)(C)N1OCCCCCCCCON1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 1-[8-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is IETSYUFKHHMOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N2O4/c1-23(2)17-21(29)18-24(3,4)27(23)31-15-13-11-9-10-12-14-16-32-28-25(5,6)19-22(30)20-26(28,7)8/h21-22,29-30H,9-20H2,1-8H3.
What are the key properties of 1-[8-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-ol?
1-[8-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 456.71 g/mol, XLogP of 5.22, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 15169996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).