(3R,4S,5R,6S)-6-ethyl-5-(hydroxymethyl)piperidine-3,4-diol

C8H17NO3 — CID 154572787

IUPAC(3R,4S,5R,6S)-6-ethyl-5-(hydroxymethyl)piperidine-3,4-diol
SMILESCC[C@@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
InChIInChI=1S/C8H17NO3/c1-2-6-5(4-10)8(12)7(11)3-9-6/h5-12H,2-4H2,1H3/t5-,6-,7+,8-/m0/s1
InChIKeyRMWQMGHEDLURNJ-HSNKUXOKSA-N
MW175.23 g/mol
LogP-1.30
Rot. Bonds2

About (3R,4S,5R,6S)-6-ethyl-5-(hydroxymethyl)piperidine-3,4-diol

(3R,4S,5R,6S)-6-ethyl-5-(hydroxymethyl)piperidine-3,4-diol (PubChem CID 154572787) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (3R,4S,5R,6S)-6-ethyl-5-(hydroxymethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5R,6S)-6-ethyl-5-(hydroxymethyl)piperidine-3,4-diol
PubChem CID154572787
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(3R,4S,5R,6S)-6-ethyl-5-(hydroxymethyl)piperidine-3,4-diol
SMILESCC[C@@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
InChIInChI=1S/C8H17NO3/c1-2-6-5(4-10)8(12)7(11)3-9-6/h5-12H,2-4H2,1H3/t5-,6-,7+,8-/m0/s1
InChIKeyRMWQMGHEDLURNJ-HSNKUXOKSA-N
XLogP-1.30
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (3R,4S,5R,6S)-6-ethyl-5-(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

Related Compounds

(3R,4S,5R,6R)-5-(hydroxymethyl)-6-octylpiperidine-3,4-diol
CID 122657807
6-heptyl-5-(hydroxymethyl)piperidine-3,4-diol
CID 72785115
(2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol chloride
CID 51371170
(2R,4R)-2-(hydroxymethyl)piperidine-3,4,5-triol;(3S,4S)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 157357410
2-(hydroxymethyl)piperidine-3,4,5-triol;tungsten
CID 140623793
(2-ethylazetidin-3-yl)methanol
CID 105427056
(2R,4R,5R)-2-propylpiperidine-3,4,5-triol
CID 89224432
(2S,3R,4R)-2-(2-hydroxyethyl)pyrrolidine-3,4-diol
CID 11286549
(3S,4S)-2-(aminomethyl)pyrrolidine-3,4-diol
CID 102214110
(2R,3S,4R,5S)-2-(2-hydroxyethyl)piperidine-3,4,5-triol
CID 11171290
(2R,3R,4R,5S)-2-(deuteriooxymethyl)piperidine-3,4,5-triol
CID 59049885
(2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 159507327

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6S)-6-ethyl-5-(hydroxymethyl)piperidine-3,4-diol?
The IUPAC name of (3R,4S,5R,6S)-6-ethyl-5-(hydroxymethyl)piperidine-3,4-diol (CID 154572787) is (3R,4S,5R,6S)-6-ethyl-5-(hydroxymethyl)piperidine-3,4-diol.
What is the SMILES notation for (3R,4S,5R,6S)-6-ethyl-5-(hydroxymethyl)piperidine-3,4-diol?
The canonical SMILES for (3R,4S,5R,6S)-6-ethyl-5-(hydroxymethyl)piperidine-3,4-diol is CC[C@@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO.
What is the InChIKey of (3R,4S,5R,6S)-6-ethyl-5-(hydroxymethyl)piperidine-3,4-diol?
The InChIKey is RMWQMGHEDLURNJ-HSNKUXOKSA-N. The full InChI is InChI=1S/C8H17NO3/c1-2-6-5(4-10)8(12)7(11)3-9-6/h5-12H,2-4H2,1H3/t5-,6-,7+,8-/m0/s1.
What are the key properties of (3R,4S,5R,6S)-6-ethyl-5-(hydroxymethyl)piperidine-3,4-diol?
(3R,4S,5R,6S)-6-ethyl-5-(hydroxymethyl)piperidine-3,4-diol has a molecular weight of 175.23 g/mol, XLogP of -1.30, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6S)-6-ethyl-5-(hydroxymethyl)piperidine-3,4-diol is sourced from PubChem (CID 154572787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).