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

C12H26NO3+ — CID 145208998

IUPAC[4-(ethoxymethyl)-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
SMILESCCOCC1(O)CC(C)(C)N([OH2+])C(C)(C)C1
InChIInChI=1S/C12H25NO3/c1-6-16-9-12(14)7-10(2,3)13(15)11(4,5)8-12/h14-15H,6-9H2,1-5H3/p+1
InChIKeyLOIHHICOCSBNKA-UHFFFAOYSA-O
MW232.34 g/mol
LogP1.05
Rot. Bonds3

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

[4-(ethoxymethyl)-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium (PubChem CID 145208998) has the molecular formula C12H26NO3+ and a molecular weight of 232.34 g/mol. Its IUPAC name is [4-(ethoxymethyl)-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium.

Molecular Properties

Compound Name[4-(ethoxymethyl)-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
PubChem CID145208998
Molecular FormulaC12H26NO3+
Molecular Weight232.34 g/mol
Exact Mass232.19
IUPAC Name[4-(ethoxymethyl)-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
SMILESCCOCC1(O)CC(C)(C)N([OH2+])C(C)(C)C1
InChIInChI=1S/C12H25NO3/c1-6-16-9-12(14)7-10(2,3)13(15)11(4,5)8-12/h14-15H,6-9H2,1-5H3/p+1
InChIKeyLOIHHICOCSBNKA-UHFFFAOYSA-O
XLogP1.05
TPSA55.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(ethoxymethyl)-5,5-dimethyloxolan-3-ol
CID 130988152
3-(ethoxymethyl)-1-methylpyrrolidin-3-ol
CID 79567375
4-(ethoxymethyl)-1-ethylazepan-4-ol
CID 79568100
1-(ethoxymethyl)-4,4-dimethylcycloheptan-1-ol
CID 79567542
2-(ethoxymethyl)oxiran-2-ol
CID 58975653
1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile;1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;4-(ethoxymethyl)-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;4-ethyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioic acid
CID 158346819
2,2,4,4,6,6-hexakis(ethoxymethyl)-1,3,5-triazinane-1,3,5-triamine
CID 21127168
1-(ethoxymethyl)-4,4-dimethylcyclohex-2-en-1-ol
CID 165492132
[4-(ethoxymethyl)piperidin-4-yl]methanol
CID 103984986
(1S,3S,7S)-3-[4-(ethoxymethyl)-4-hydroxycyclohexyl]-1,6-dimethylbicyclo[4.1.0]heptan-7-ol
CID 163850152
3,3,5,5-tetramethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol
CID 112682700
1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449768

Frequently Asked Questions

What is the IUPAC name of [4-(ethoxymethyl)-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?
The IUPAC name of [4-(ethoxymethyl)-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium (CID 145208998) is [4-(ethoxymethyl)-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium.
What is the SMILES notation for [4-(ethoxymethyl)-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?
The canonical SMILES for [4-(ethoxymethyl)-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium is CCOCC1(O)CC(C)(C)N([OH2+])C(C)(C)C1.
What is the InChIKey of [4-(ethoxymethyl)-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?
The InChIKey is LOIHHICOCSBNKA-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H25NO3/c1-6-16-9-12(14)7-10(2,3)13(15)11(4,5)8-12/h14-15H,6-9H2,1-5H3/p+1.
What are the key properties of [4-(ethoxymethyl)-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium?
[4-(ethoxymethyl)-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium has a molecular weight of 232.34 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethoxymethyl)-4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium is sourced from PubChem (CID 145208998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).