(3S,4R)-piperidine-3,4-diol

C5H11NO2 — CID 22795159

IUPAC(3S,4R)-piperidine-3,4-diol
SMILESO[C@@H]1CCNC[C@@H]1O
InChIInChI=1S/C5H11NO2/c7-4-1-2-6-3-5(4)8/h4-8H,1-3H2/t4-,5+/m1/s1
InChIKeyIZXWMVPZODQBRB-UHNVWZDZSA-N
MW117.15 g/mol
LogP-1.30
Rot. Bonds

About (3S,4R)-piperidine-3,4-diol

(3S,4R)-piperidine-3,4-diol (PubChem CID 22795159) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (3S,4R)-piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-piperidine-3,4-diol
PubChem CID22795159
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(3S,4R)-piperidine-3,4-diol
SMILESO[C@@H]1CCNC[C@@H]1O
InChIInChI=1S/C5H11NO2/c7-4-1-2-6-3-5(4)8/h4-8H,1-3H2/t4-,5+/m1/s1
InChIKeyIZXWMVPZODQBRB-UHNVWZDZSA-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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Related Compounds

Fagomine
CID 72259
Deoxyfuconojirimycin
CID 122618
3-Hydroxypiperidine
CID 23293
Piperidin-4-ol
CID 79341
(3R,4s,5S)-piperidine-3,4,5-triol
CID 445612
1,2-Ethanediol, 1-(2-piperidyl)-
CID 98184
(3R,4S,6S)-6-(hydroxymethyl)piperidine-3,4-diol
CID 10820692
3-epi-Fagomine
CID 10290867
(2R,3R,4R,5S)-2-Methylpiperidine-3,4,5-triol
CID 10351835
(2S,3S,4R)-2-(hydroxymethyl)piperidine-3,4-diol
CID 11389465
(S)-3-Hydroxypiperidine
CID 6950221
Piperidine-3-ol hydrochloride
CID 2723962

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-piperidine-3,4-diol?
The IUPAC name of (3S,4R)-piperidine-3,4-diol (CID 22795159) is (3S,4R)-piperidine-3,4-diol.
What is the SMILES notation for (3S,4R)-piperidine-3,4-diol?
The canonical SMILES for (3S,4R)-piperidine-3,4-diol is O[C@@H]1CCNC[C@@H]1O.
What is the InChIKey of (3S,4R)-piperidine-3,4-diol?
The InChIKey is IZXWMVPZODQBRB-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H11NO2/c7-4-1-2-6-3-5(4)8/h4-8H,1-3H2/t4-,5+/m1/s1.
What are the key properties of (3S,4R)-piperidine-3,4-diol?
(3S,4R)-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 (3S,4R)-piperidine-3,4-diol is sourced from PubChem (CID 22795159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).