1,1-dihydroxypiperidin-1-ium

C5H12NO2+ — CID 54201358

IUPAC1,1-dihydroxypiperidin-1-ium
SMILESO[N+]1(O)CCCCC1
InChIInChI=1S/C5H12NO2/c7-6(8)4-2-1-3-5-6/h7-8H,1-5H2/q+1
InChIKeyBYLMCZFITMLXFX-UHFFFAOYSA-N
MW118.16 g/mol
LogP0.77
Rot. Bonds

About 1,1-dihydroxypiperidin-1-ium

1,1-dihydroxypiperidin-1-ium (PubChem CID 54201358) has the molecular formula C5H12NO2+ and a molecular weight of 118.16 g/mol. Its IUPAC name is 1,1-dihydroxypiperidin-1-ium.

Molecular Properties

Compound Name1,1-dihydroxypiperidin-1-ium
PubChem CID54201358
Molecular FormulaC5H12NO2+
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name1,1-dihydroxypiperidin-1-ium
SMILESO[N+]1(O)CCCCC1
InChIInChI=1S/C5H12NO2/c7-6(8)4-2-1-3-5-6/h7-8H,1-5H2/q+1
InChIKeyBYLMCZFITMLXFX-UHFFFAOYSA-N
XLogP0.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 50.77
H-Bond Donors ≤ 52
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 1,1-dihydroxypiperidin-1-ium?
The IUPAC name of 1,1-dihydroxypiperidin-1-ium (CID 54201358) is 1,1-dihydroxypiperidin-1-ium.
What is the SMILES notation for 1,1-dihydroxypiperidin-1-ium?
The canonical SMILES for 1,1-dihydroxypiperidin-1-ium is O[N+]1(O)CCCCC1.
What is the InChIKey of 1,1-dihydroxypiperidin-1-ium?
The InChIKey is BYLMCZFITMLXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO2/c7-6(8)4-2-1-3-5-6/h7-8H,1-5H2/q+1.
What are the key properties of 1,1-dihydroxypiperidin-1-ium?
1,1-dihydroxypiperidin-1-ium has a molecular weight of 118.16 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dihydroxypiperidin-1-ium is sourced from PubChem (CID 54201358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).