(2R,3R,4R,6R)-6-ethyl-2-(hydroxymethyl)piperidine-3,4-diol

C8H17NO3 — CID 10329822

IUPAC(2R,3R,4R,6R)-6-ethyl-2-(hydroxymethyl)piperidine-3,4-diol
SMILESCC[C@@H]1C[C@@H](O)[C@H](O)[C@@H](CO)N1
InChIInChI=1S/C8H17NO3/c1-2-5-3-7(11)8(12)6(4-10)9-5/h5-12H,2-4H2,1H3/t5-,6-,7-,8-/m1/s1
InChIKeyQWEWPBRDYZVGBR-WCTZXXKLSA-N
MW175.23 g/mol
LogP-1.16
Rot. Bonds2

About (2R,3R,4R,6R)-6-ethyl-2-(hydroxymethyl)piperidine-3,4-diol

(2R,3R,4R,6R)-6-ethyl-2-(hydroxymethyl)piperidine-3,4-diol (PubChem CID 10329822) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (2R,3R,4R,6R)-6-ethyl-2-(hydroxymethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,6R)-6-ethyl-2-(hydroxymethyl)piperidine-3,4-diol
PubChem CID10329822
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(2R,3R,4R,6R)-6-ethyl-2-(hydroxymethyl)piperidine-3,4-diol
SMILESCC[C@@H]1C[C@@H](O)[C@H](O)[C@@H](CO)N1
InChIInChI=1S/C8H17NO3/c1-2-5-3-7(11)8(12)6(4-10)9-5/h5-12H,2-4H2,1H3/t5-,6-,7-,8-/m1/s1
InChIKeyQWEWPBRDYZVGBR-WCTZXXKLSA-N
XLogP-1.16
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 ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,6R)-6-ethyl-2-(hydroxymethyl)piperidine-3,4-diol?
The IUPAC name of (2R,3R,4R,6R)-6-ethyl-2-(hydroxymethyl)piperidine-3,4-diol (CID 10329822) is (2R,3R,4R,6R)-6-ethyl-2-(hydroxymethyl)piperidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R,6R)-6-ethyl-2-(hydroxymethyl)piperidine-3,4-diol?
The canonical SMILES for (2R,3R,4R,6R)-6-ethyl-2-(hydroxymethyl)piperidine-3,4-diol is CC[C@@H]1C[C@@H](O)[C@H](O)[C@@H](CO)N1.
What is the InChIKey of (2R,3R,4R,6R)-6-ethyl-2-(hydroxymethyl)piperidine-3,4-diol?
The InChIKey is QWEWPBRDYZVGBR-WCTZXXKLSA-N. The full InChI is InChI=1S/C8H17NO3/c1-2-5-3-7(11)8(12)6(4-10)9-5/h5-12H,2-4H2,1H3/t5-,6-,7-,8-/m1/s1.
What are the key properties of (2R,3R,4R,6R)-6-ethyl-2-(hydroxymethyl)piperidine-3,4-diol?
(2R,3R,4R,6R)-6-ethyl-2-(hydroxymethyl)piperidine-3,4-diol has a molecular weight of 175.23 g/mol, XLogP of -1.16, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,6R)-6-ethyl-2-(hydroxymethyl)piperidine-3,4-diol is sourced from PubChem (CID 10329822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).