(2R,3R,6S)-6-ethyl-2-(hydroxymethyl)piperidin-3-ol

C8H17NO2 — CID 46906932

IUPAC(2R,3R,6S)-6-ethyl-2-(hydroxymethyl)piperidin-3-ol
SMILESCC[C@H]1CC[C@@H](O)[C@@H](CO)N1
InChIInChI=1S/C8H17NO2/c1-2-6-3-4-8(11)7(5-10)9-6/h6-11H,2-5H2,1H3/t6-,7+,8+/m0/s1
InChIKeyOEBZFGBAXKRSHZ-XLPZGREQSA-N
MW159.23 g/mol
LogP-0.13
Rot. Bonds2

About (2R,3R,6S)-6-ethyl-2-(hydroxymethyl)piperidin-3-ol

(2R,3R,6S)-6-ethyl-2-(hydroxymethyl)piperidin-3-ol (PubChem CID 46906932) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2R,3R,6S)-6-ethyl-2-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(2R,3R,6S)-6-ethyl-2-(hydroxymethyl)piperidin-3-ol
PubChem CID46906932
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2R,3R,6S)-6-ethyl-2-(hydroxymethyl)piperidin-3-ol
SMILESCC[C@H]1CC[C@@H](O)[C@@H](CO)N1
InChIInChI=1S/C8H17NO2/c1-2-6-3-4-8(11)7(5-10)9-6/h6-11H,2-5H2,1H3/t6-,7+,8+/m0/s1
InChIKeyOEBZFGBAXKRSHZ-XLPZGREQSA-N
XLogP-0.13
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Carboxypeptidase A
CID 44395719
(2R,3S,4R,5R,6R)-2-butyl-6-(hydroxymethyl)piperidine-3,4,5-triol
CID 11009466
(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-nonylpiperidine-3,4,5-triol
CID 11150434
(+)-5-Deoxyadeenophorine
CID 10559165
1-(Piperidin-2-yl)propan-1-ol
CID 10314
1-[(2-Hydroxyethyl)amino]-2-dodecanol
CID 10988562
(2R,3S,4R,5R,6R)-2-hexyl-6-(hydroxymethyl)piperidine-3,4,5-triol
CID 23647981
(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-octylpiperidine-3,4,5-triol
CID 23647982
alpha-1-C-Propyl-DNJ
CID 10932614
(2s,3r)-2-(Hydroxymethyl)piperidin-3-ol
CID 14659558
Sedridine
CID 164633
1-(Cyclohexylamino)hexadecan-2-ol
CID 10337278

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6S)-6-ethyl-2-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of (2R,3R,6S)-6-ethyl-2-(hydroxymethyl)piperidin-3-ol (CID 46906932) is (2R,3R,6S)-6-ethyl-2-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for (2R,3R,6S)-6-ethyl-2-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for (2R,3R,6S)-6-ethyl-2-(hydroxymethyl)piperidin-3-ol is CC[C@H]1CC[C@@H](O)[C@@H](CO)N1.
What is the InChIKey of (2R,3R,6S)-6-ethyl-2-(hydroxymethyl)piperidin-3-ol?
The InChIKey is OEBZFGBAXKRSHZ-XLPZGREQSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-6-3-4-8(11)7(5-10)9-6/h6-11H,2-5H2,1H3/t6-,7+,8+/m0/s1.
What are the key properties of (2R,3R,6S)-6-ethyl-2-(hydroxymethyl)piperidin-3-ol?
(2R,3R,6S)-6-ethyl-2-(hydroxymethyl)piperidin-3-ol has a molecular weight of 159.23 g/mol, XLogP of -0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S)-6-ethyl-2-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 46906932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).