(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride

C6H14ClNO4 — CID 13018787

IUPAC(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
SMILESCl.OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO4.ClH/c8-2-3-5(10)6(11)4(9)1-7-3;/h3-11H,1-2H2;1H/t3-,4+,5-,6-;/m1./s1
InChIKeyZJIHMALTJRDNQI-VFQQELCFSA-N
MW199.63 g/mol
LogP-2.55
Rot. Bonds1

About (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride

(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride (PubChem CID 13018787) has the molecular formula C6H14ClNO4 and a molecular weight of 199.63 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
PubChem CID13018787
Molecular FormulaC6H14ClNO4
Molecular Weight199.63 g/mol
Exact Mass199.06
IUPAC Name(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
SMILESCl.OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO4.ClH/c8-2-3-5(10)6(11)4(9)1-7-3;/h3-11H,1-2H2;1H/t3-,4+,5-,6-;/m1./s1
InChIKeyZJIHMALTJRDNQI-VFQQELCFSA-N
XLogP-2.55
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.63
LogP ≤ 5-2.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride 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 (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride?
The IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride (CID 13018787) is (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride.
What is the SMILES notation for (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride?
The canonical SMILES for (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride is Cl.OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride?
The InChIKey is ZJIHMALTJRDNQI-VFQQELCFSA-N. The full InChI is InChI=1S/C6H13NO4.ClH/c8-2-3-5(10)6(11)4(9)1-7-3;/h3-11H,1-2H2;1H/t3-,4+,5-,6-;/m1./s1.
What are the key properties of (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride?
(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride has a molecular weight of 199.63 g/mol, XLogP of -2.55, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride is sourced from PubChem (CID 13018787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).