piperidine-3,4-diol

C5H11NO2 — CID 3400854

IUPACpiperidine-3,4-diol
SMILESOC1CCNCC1O
InChIInChI=1S/C5H11NO2/c7-4-1-2-6-3-5(4)8/h4-8H,1-3H2
InChIKeyIZXWMVPZODQBRB-UHFFFAOYSA-N
MW117.15 g/mol
LogP-1.30
Rot. Bonds

About piperidine-3,4-diol

piperidine-3,4-diol (PubChem CID 3400854) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is piperidine-3,4-diol.

Molecular Properties

Compound Namepiperidine-3,4-diol
PubChem CID3400854
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Namepiperidine-3,4-diol
SMILESOC1CCNCC1O
InChIInChI=1S/C5H11NO2/c7-4-1-2-6-3-5(4)8/h4-8H,1-3H2
InChIKeyIZXWMVPZODQBRB-UHFFFAOYSA-N
XLogP-1.30
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidine-3,4-diol?
The IUPAC name of piperidine-3,4-diol (CID 3400854) is piperidine-3,4-diol.
What is the SMILES notation for piperidine-3,4-diol?
The canonical SMILES for piperidine-3,4-diol is OC1CCNCC1O.
What is the InChIKey of piperidine-3,4-diol?
The InChIKey is IZXWMVPZODQBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c7-4-1-2-6-3-5(4)8/h4-8H,1-3H2.
What are the key properties of piperidine-3,4-diol?
piperidine-3,4-diol has a molecular weight of 117.15 g/mol, XLogP of -1.30, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-3,4-diol is sourced from PubChem (CID 3400854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).