1-hydroxy-1-oxidopiperidin-1-ium

C5H11NO2 — CID 87246241

IUPAC1-hydroxy-1-oxidopiperidin-1-ium
SMILES[O-][N+]1(O)CCCCC1
InChIInChI=1S/C5H11NO2/c7-6(8)4-2-1-3-5-6/h7H,1-5H2
InChIKeyYMDCAYHEWFKCFR-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.87
Rot. Bonds

About 1-hydroxy-1-oxidopiperidin-1-ium

1-hydroxy-1-oxidopiperidin-1-ium (PubChem CID 87246241) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-hydroxy-1-oxidopiperidin-1-ium.

Molecular Properties

Compound Name1-hydroxy-1-oxidopiperidin-1-ium
PubChem CID87246241
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name1-hydroxy-1-oxidopiperidin-1-ium
SMILES[O-][N+]1(O)CCCCC1
InChIInChI=1S/C5H11NO2/c7-6(8)4-2-1-3-5-6/h7H,1-5H2
InChIKeyYMDCAYHEWFKCFR-UHFFFAOYSA-N
XLogP0.87
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-oxidopiperidin-1-ium?
The IUPAC name of 1-hydroxy-1-oxidopiperidin-1-ium (CID 87246241) is 1-hydroxy-1-oxidopiperidin-1-ium.
What is the SMILES notation for 1-hydroxy-1-oxidopiperidin-1-ium?
The canonical SMILES for 1-hydroxy-1-oxidopiperidin-1-ium is [O-][N+]1(O)CCCCC1.
What is the InChIKey of 1-hydroxy-1-oxidopiperidin-1-ium?
The InChIKey is YMDCAYHEWFKCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c7-6(8)4-2-1-3-5-6/h7H,1-5H2.
What are the key properties of 1-hydroxy-1-oxidopiperidin-1-ium?
1-hydroxy-1-oxidopiperidin-1-ium has a molecular weight of 117.15 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-oxidopiperidin-1-ium is sourced from PubChem (CID 87246241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).