(2S,3R,5S,6R)-2,6-diethylpiperidine-3,4,5-triol;hydrochloride

C9H20ClNO3 — CID 71747328

IUPAC(2S,3R,5S,6R)-2,6-diethylpiperidine-3,4,5-triol;hydrochloride
SMILESCC[C@@H]1N[C@H](CC)[C@H](O)C(O)[C@@H]1O.Cl
InChIInChI=1S/C9H19NO3.ClH/c1-3-5-7(11)9(13)8(12)6(4-2)10-5;/h5-13H,3-4H2,1-2H3;1H/t5-,6+,7+,8-,9?;
InChIKeyCZOCTXNVINBCEU-QXZVMYEXSA-N
MW225.72 g/mol
LogP-0.35
Rot. Bonds2

About (2S,3R,5S,6R)-2,6-diethylpiperidine-3,4,5-triol;hydrochloride

(2S,3R,5S,6R)-2,6-diethylpiperidine-3,4,5-triol;hydrochloride (PubChem CID 71747328) has the molecular formula C9H20ClNO3 and a molecular weight of 225.72 g/mol. Its IUPAC name is (2S,3R,5S,6R)-2,6-diethylpiperidine-3,4,5-triol;hydrochloride.

Molecular Properties

Compound Name(2S,3R,5S,6R)-2,6-diethylpiperidine-3,4,5-triol;hydrochloride
PubChem CID71747328
Molecular FormulaC9H20ClNO3
Molecular Weight225.72 g/mol
Exact Mass225.11
IUPAC Name(2S,3R,5S,6R)-2,6-diethylpiperidine-3,4,5-triol;hydrochloride
SMILESCC[C@@H]1N[C@H](CC)[C@H](O)C(O)[C@@H]1O.Cl
InChIInChI=1S/C9H19NO3.ClH/c1-3-5-7(11)9(13)8(12)6(4-2)10-5;/h5-13H,3-4H2,1-2H3;1H/t5-,6+,7+,8-,9?;
InChIKeyCZOCTXNVINBCEU-QXZVMYEXSA-N
XLogP-0.35
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S,6R)-2,6-diethylpiperidine-3,4,5-triol;hydrochloride?
The IUPAC name of (2S,3R,5S,6R)-2,6-diethylpiperidine-3,4,5-triol;hydrochloride (CID 71747328) is (2S,3R,5S,6R)-2,6-diethylpiperidine-3,4,5-triol;hydrochloride.
What is the SMILES notation for (2S,3R,5S,6R)-2,6-diethylpiperidine-3,4,5-triol;hydrochloride?
The canonical SMILES for (2S,3R,5S,6R)-2,6-diethylpiperidine-3,4,5-triol;hydrochloride is CC[C@@H]1N[C@H](CC)[C@H](O)C(O)[C@@H]1O.Cl.
What is the InChIKey of (2S,3R,5S,6R)-2,6-diethylpiperidine-3,4,5-triol;hydrochloride?
The InChIKey is CZOCTXNVINBCEU-QXZVMYEXSA-N. The full InChI is InChI=1S/C9H19NO3.ClH/c1-3-5-7(11)9(13)8(12)6(4-2)10-5;/h5-13H,3-4H2,1-2H3;1H/t5-,6+,7+,8-,9?;.
What are the key properties of (2S,3R,5S,6R)-2,6-diethylpiperidine-3,4,5-triol;hydrochloride?
(2S,3R,5S,6R)-2,6-diethylpiperidine-3,4,5-triol;hydrochloride has a molecular weight of 225.72 g/mol, XLogP of -0.35, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S,6R)-2,6-diethylpiperidine-3,4,5-triol;hydrochloride is sourced from PubChem (CID 71747328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).