(2S,3R)-2-(hydroxymethyl)piperidin-3-ol

C6H13NO2 — CID 14659558

IUPAC(2S,3R)-2-(hydroxymethyl)piperidin-3-ol
SMILESOC[C@@H]1NCCC[C@H]1O
InChIInChI=1S/C6H13NO2/c8-4-5-6(9)2-1-3-7-5/h5-9H,1-4H2/t5-,6+/m0/s1
InChIKeyWRLZCUCTSFUOQY-NTSWFWBYSA-N
MW131.18 g/mol
LogP-0.91
Rot. Bonds1

About (2S,3R)-2-(hydroxymethyl)piperidin-3-ol

(2S,3R)-2-(hydroxymethyl)piperidin-3-ol (PubChem CID 14659558) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (2S,3R)-2-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-(hydroxymethyl)piperidin-3-ol
PubChem CID14659558
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(2S,3R)-2-(hydroxymethyl)piperidin-3-ol
SMILESOC[C@@H]1NCCC[C@H]1O
InChIInChI=1S/C6H13NO2/c8-4-5-6(9)2-1-3-7-5/h5-9H,1-4H2/t5-,6+/m0/s1
InChIKeyWRLZCUCTSFUOQY-NTSWFWBYSA-N
XLogP-0.91
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of (2S,3R)-2-(hydroxymethyl)piperidin-3-ol (CID 14659558) is (2S,3R)-2-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for (2S,3R)-2-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for (2S,3R)-2-(hydroxymethyl)piperidin-3-ol is OC[C@@H]1NCCC[C@H]1O.
What is the InChIKey of (2S,3R)-2-(hydroxymethyl)piperidin-3-ol?
The InChIKey is WRLZCUCTSFUOQY-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H13NO2/c8-4-5-6(9)2-1-3-7-5/h5-9H,1-4H2/t5-,6+/m0/s1.
What are the key properties of (2S,3R)-2-(hydroxymethyl)piperidin-3-ol?
(2S,3R)-2-(hydroxymethyl)piperidin-3-ol has a molecular weight of 131.18 g/mol, XLogP of -0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 14659558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).