(2R,3R,4S,5R)-5-ethoxy-2-(hydroxymethyl)piperidine-3,4-diol

C8H17NO4 — CID 15690215

IUPAC(2R,3R,4S,5R)-5-ethoxy-2-(hydroxymethyl)piperidine-3,4-diol
SMILESCCO[C@@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H17NO4/c1-2-13-6-3-9-5(4-10)7(11)8(6)12/h5-12H,2-4H2,1H3/t5-,6-,7-,8-/m1/s1
InChIKeyCOPXNZORHSITGP-WCTZXXKLSA-N
MW191.23 g/mol
LogP-1.92
Rot. Bonds3

About (2R,3R,4S,5R)-5-ethoxy-2-(hydroxymethyl)piperidine-3,4-diol

(2R,3R,4S,5R)-5-ethoxy-2-(hydroxymethyl)piperidine-3,4-diol (PubChem CID 15690215) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is (2R,3R,4S,5R)-5-ethoxy-2-(hydroxymethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-5-ethoxy-2-(hydroxymethyl)piperidine-3,4-diol
PubChem CID15690215
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name(2R,3R,4S,5R)-5-ethoxy-2-(hydroxymethyl)piperidine-3,4-diol
SMILESCCO[C@@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H17NO4/c1-2-13-6-3-9-5(4-10)7(11)8(6)12/h5-12H,2-4H2,1H3/t5-,6-,7-,8-/m1/s1
InChIKeyCOPXNZORHSITGP-WCTZXXKLSA-N
XLogP-1.92
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-1.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4S,5R)-5-ethoxy-2-(hydroxymethyl)piperidine-3,4-diol 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,4S,5R)-5-ethoxy-2-(hydroxymethyl)piperidine-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-5-ethoxy-2-(hydroxymethyl)piperidine-3,4-diol (CID 15690215) is (2R,3R,4S,5R)-5-ethoxy-2-(hydroxymethyl)piperidine-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-5-ethoxy-2-(hydroxymethyl)piperidine-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-5-ethoxy-2-(hydroxymethyl)piperidine-3,4-diol is CCO[C@@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-5-ethoxy-2-(hydroxymethyl)piperidine-3,4-diol?
The InChIKey is COPXNZORHSITGP-WCTZXXKLSA-N. The full InChI is InChI=1S/C8H17NO4/c1-2-13-6-3-9-5(4-10)7(11)8(6)12/h5-12H,2-4H2,1H3/t5-,6-,7-,8-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-5-ethoxy-2-(hydroxymethyl)piperidine-3,4-diol?
(2R,3R,4S,5R)-5-ethoxy-2-(hydroxymethyl)piperidine-3,4-diol has a molecular weight of 191.23 g/mol, XLogP of -1.92, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-5-ethoxy-2-(hydroxymethyl)piperidine-3,4-diol is sourced from PubChem (CID 15690215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).