1-[7-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-ol

C25H50N2O4 — CID 15169998

IUPAC1-[7-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1OCCCCCCCON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C25H50N2O4/c1-22(2)16-20(28)17-23(3,4)26(22)30-14-12-10-9-11-13-15-31-27-24(5,6)18-21(29)19-25(27,7)8/h20-21,28-29H,9-19H2,1-8H3
InChIKeyIKCDHYBPEIVMMM-UHFFFAOYSA-N
MW442.69 g/mol
LogP4.83
Rot. Bonds10

About 1-[7-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-ol

1-[7-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 15169998) has the molecular formula C25H50N2O4 and a molecular weight of 442.69 g/mol. Its IUPAC name is 1-[7-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[7-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID15169998
Molecular FormulaC25H50N2O4
Molecular Weight442.69 g/mol
Exact Mass442.38
IUPAC Name1-[7-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-ol
SMILESCC1(C)CC(O)CC(C)(C)N1OCCCCCCCON1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C25H50N2O4/c1-22(2)16-20(28)17-23(3,4)26(22)30-14-12-10-9-11-13-15-31-27-24(5,6)18-21(29)19-25(27,7)8/h20-21,28-29H,9-19H2,1-8H3
InChIKeyIKCDHYBPEIVMMM-UHFFFAOYSA-N
XLogP4.83
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.69
LogP ≤ 54.83
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-[7-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 1-[7-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-ol (CID 15169998) is 1-[7-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-[7-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-[7-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-ol is CC1(C)CC(O)CC(C)(C)N1OCCCCCCCON1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 1-[7-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is IKCDHYBPEIVMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N2O4/c1-22(2)16-20(28)17-23(3,4)26(22)30-14-12-10-9-11-13-15-31-27-24(5,6)18-21(29)19-25(27,7)8/h20-21,28-29H,9-19H2,1-8H3.
What are the key properties of 1-[7-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-ol?
1-[7-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 442.69 g/mol, XLogP of 4.83, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 15169998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).