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

C7H16ClNO3 — CID 57341108

IUPAC(2R,3S,4S,5R)-2-ethylpiperidine-3,4,5-triol;hydrochloride
SMILESCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O.Cl
InChIInChI=1S/C7H15NO3.ClH/c1-2-4-6(10)7(11)5(9)3-8-4;/h4-11H,2-3H2,1H3;1H/t4-,5-,6+,7+;/m1./s1
InChIKeySLMXBMZUPDXISI-MWOFTINQSA-N
MW197.66 g/mol
LogP-1.13
Rot. Bonds1

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

(2R,3S,4S,5R)-2-ethylpiperidine-3,4,5-triol;hydrochloride (PubChem CID 57341108) has the molecular formula C7H16ClNO3 and a molecular weight of 197.66 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-ethylpiperidine-3,4,5-triol;hydrochloride.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-ethylpiperidine-3,4,5-triol;hydrochloride
PubChem CID57341108
Molecular FormulaC7H16ClNO3
Molecular Weight197.66 g/mol
Exact Mass197.08
IUPAC Name(2R,3S,4S,5R)-2-ethylpiperidine-3,4,5-triol;hydrochloride
SMILESCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O.Cl
InChIInChI=1S/C7H15NO3.ClH/c1-2-4-6(10)7(11)5(9)3-8-4;/h4-11H,2-3H2,1H3;1H/t4-,5-,6+,7+;/m1./s1
InChIKeySLMXBMZUPDXISI-MWOFTINQSA-N
XLogP-1.13
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-ethylpiperidine-3,4,5-triol;hydrochloride?
The IUPAC name of (2R,3S,4S,5R)-2-ethylpiperidine-3,4,5-triol;hydrochloride (CID 57341108) is (2R,3S,4S,5R)-2-ethylpiperidine-3,4,5-triol;hydrochloride.
What is the SMILES notation for (2R,3S,4S,5R)-2-ethylpiperidine-3,4,5-triol;hydrochloride?
The canonical SMILES for (2R,3S,4S,5R)-2-ethylpiperidine-3,4,5-triol;hydrochloride is CC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O.Cl.
What is the InChIKey of (2R,3S,4S,5R)-2-ethylpiperidine-3,4,5-triol;hydrochloride?
The InChIKey is SLMXBMZUPDXISI-MWOFTINQSA-N. The full InChI is InChI=1S/C7H15NO3.ClH/c1-2-4-6(10)7(11)5(9)3-8-4;/h4-11H,2-3H2,1H3;1H/t4-,5-,6+,7+;/m1./s1.
What are the key properties of (2R,3S,4S,5R)-2-ethylpiperidine-3,4,5-triol;hydrochloride?
(2R,3S,4S,5R)-2-ethylpiperidine-3,4,5-triol;hydrochloride has a molecular weight of 197.66 g/mol, XLogP of -1.13, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-ethylpiperidine-3,4,5-triol;hydrochloride is sourced from PubChem (CID 57341108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).