piperidine-3,4,5-triol

C5H11NO3 — CID 3400852

IUPACpiperidine-3,4,5-triol
SMILESOC1CNCC(O)C1O
InChIInChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2
InChIKeyRMCNETIHECSPMZ-UHFFFAOYSA-N
MW133.15 g/mol
LogP-2.33
Rot. Bonds

About piperidine-3,4,5-triol

piperidine-3,4,5-triol (PubChem CID 3400852) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is piperidine-3,4,5-triol.

Molecular Properties

Compound Namepiperidine-3,4,5-triol
PubChem CID3400852
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Namepiperidine-3,4,5-triol
SMILESOC1CNCC(O)C1O
InChIInChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2
InChIKeyRMCNETIHECSPMZ-UHFFFAOYSA-N
XLogP-2.33
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-2.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze piperidine-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of piperidine-3,4,5-triol?
The IUPAC name of piperidine-3,4,5-triol (CID 3400852) is piperidine-3,4,5-triol.
What is the SMILES notation for piperidine-3,4,5-triol?
The canonical SMILES for piperidine-3,4,5-triol is OC1CNCC(O)C1O.
What is the InChIKey of piperidine-3,4,5-triol?
The InChIKey is RMCNETIHECSPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2.
What are the key properties of piperidine-3,4,5-triol?
piperidine-3,4,5-triol has a molecular weight of 133.15 g/mol, XLogP of -2.33, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-3,4,5-triol is sourced from PubChem (CID 3400852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).