[4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium

C20H41N2O4+ — CID 149204279

IUPAC[4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
SMILESCC1(C)CC(OCCOC2CC(C)(C)N([OH2+])C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C20H40N2O4/c1-17(2)11-15(12-18(3,4)21(17)23)25-9-10-26-16-13-19(5,6)22(24)20(7,8)14-16/h15-16,23-24H,9-14H2,1-8H3/p+1
InChIKeyXFHITGQGSPDENT-UHFFFAOYSA-O
MW373.56 g/mol
LogP3.09
Rot. Bonds5

About [4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium

[4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium (PubChem CID 149204279) has the molecular formula C20H41N2O4+ and a molecular weight of 373.56 g/mol. Its IUPAC name is [4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium.

Molecular Properties

Compound Name[4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
PubChem CID149204279
Molecular FormulaC20H41N2O4+
Molecular Weight373.56 g/mol
Exact Mass373.31
IUPAC Name[4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
SMILESCC1(C)CC(OCCOC2CC(C)(C)N([OH2+])C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C20H40N2O4/c1-17(2)11-15(12-18(3,4)21(17)23)25-9-10-26-16-13-19(5,6)22(24)20(7,8)14-16/h15-16,23-24H,9-14H2,1-8H3/p+1
InChIKeyXFHITGQGSPDENT-UHFFFAOYSA-O
XLogP3.09
TPSA68.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.56
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine
CID 118137024
1-hydroxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,2,6,6-tetramethylpiperidine
CID 160526152
4-ethoxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 18371974
2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-N,N-dimethylethanamine
CID 171443286
4-(ethoxymethoxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 21020056
(2R)-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-methoxypropan-2-ol
CID 139944892
2-[2-[2-[2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-iodopropanoate
CID 163668551
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate
CID 126739205
4-[2-(2,2-dimethylpropoxy)-4,4-dimethylpentoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 167075242
1-hydroxy-4-(2-methoxyethoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-(3-methoxypropoxy)-2,2,6,6-tetramethylpiperidine;1-hydroxy-4-methoxy-2,2,6,6-tetramethylpiperidine;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate;methane
CID 161062825
[4-[3-[2-butyl-2-[3-(1-hydroxy-1,2,2,6,6-pentamethylpiperidin-1-ium-4-yl)oxypropoxycarbonyl]-9,9-bis[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxycarbonyl]tridecanoyl]oxypropoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 163597426
1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentane-2,4-diol
CID 156778673

Frequently Asked Questions

What is the IUPAC name of [4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?
The IUPAC name of [4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium (CID 149204279) is [4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium.
What is the SMILES notation for [4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?
The canonical SMILES for [4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium is CC1(C)CC(OCCOC2CC(C)(C)N([OH2+])C(C)(C)C2)CC(C)(C)N1O.
What is the InChIKey of [4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?
The InChIKey is XFHITGQGSPDENT-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H40N2O4/c1-17(2)11-15(12-18(3,4)21(17)23)25-9-10-26-16-13-19(5,6)22(24)20(7,8)14-16/h15-16,23-24H,9-14H2,1-8H3/p+1.
What are the key properties of [4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?
[4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium has a molecular weight of 373.56 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium is sourced from PubChem (CID 149204279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).