(2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride

C8H18ClNO4 — CID 164611551

IUPAC(2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
SMILESCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl
InChIInChI=1S/C8H17NO4.ClH/c1-2-8(4-10)7(13)6(12)5(11)3-9-8;/h5-7,9-13H,2-4H2,1H3;1H/t5-,6+,7-,8+;/m0./s1
InChIKeyORGSYOYPBHRLOD-PXXJPSRFSA-N
MW227.69 g/mol
LogP-1.76
Rot. Bonds2

About (2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride

(2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride (PubChem CID 164611551) has the molecular formula C8H18ClNO4 and a molecular weight of 227.69 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
PubChem CID164611551
Molecular FormulaC8H18ClNO4
Molecular Weight227.69 g/mol
Exact Mass227.09
IUPAC Name(2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
SMILESCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl
InChIInChI=1S/C8H17NO4.ClH/c1-2-8(4-10)7(13)6(12)5(11)3-9-8;/h5-7,9-13H,2-4H2,1H3;1H/t5-,6+,7-,8+;/m0./s1
InChIKeyORGSYOYPBHRLOD-PXXJPSRFSA-N
XLogP-1.76
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 5-1.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride?
The IUPAC name of (2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride (CID 164611551) is (2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride.
What is the SMILES notation for (2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride?
The canonical SMILES for (2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride is CC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O.Cl.
What is the InChIKey of (2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride?
The InChIKey is ORGSYOYPBHRLOD-PXXJPSRFSA-N. The full InChI is InChI=1S/C8H17NO4.ClH/c1-2-8(4-10)7(13)6(12)5(11)3-9-8;/h5-7,9-13H,2-4H2,1H3;1H/t5-,6+,7-,8+;/m0./s1.
What are the key properties of (2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride?
(2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of -1.76, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride is sourced from PubChem (CID 164611551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).