(2R,4R)-1-(2-ethoxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol

C10H21NO5 — CID 137484008

IUPAC(2R,4R)-1-(2-ethoxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESCCOCCN1CC(O)[C@@H](O)C(O)[C@H]1CO
InChIInChI=1S/C10H21NO5/c1-2-16-4-3-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8?,9?,10-/m1/s1
InChIKeyMNSFMAWUKDBQJX-SEZDTBSWSA-N
MW235.28 g/mol
LogP-2.22
Rot. Bonds5

About (2R,4R)-1-(2-ethoxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol

(2R,4R)-1-(2-ethoxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol (PubChem CID 137484008) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is (2R,4R)-1-(2-ethoxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,4R)-1-(2-ethoxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
PubChem CID137484008
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name(2R,4R)-1-(2-ethoxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESCCOCCN1CC(O)[C@@H](O)C(O)[C@H]1CO
InChIInChI=1S/C10H21NO5/c1-2-16-4-3-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8?,9?,10-/m1/s1
InChIKeyMNSFMAWUKDBQJX-SEZDTBSWSA-N
XLogP-2.22
TPSA93.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-2.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R,5S)-1-(2-hexoxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 11952073
(2S,3S,4S,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2S,3S,4S,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-3,4,5-triol
CID 174159889
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidine-3,4,5-triol
CID 169082941
2-(hydroxymethyl)-1-(2-sulfanyloxyethyl)piperidine-3,4,5-triol
CID 123186070
(2S,3S,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 11816841
(3R,4R,5S)-2-(hydroxymethyl)-1-pentylpiperidine-3,4,5-triol
CID 173374212
(2S,3R,4R,5S)-2-(hydroxymethyl)-1-(6-propoxyhexyl)piperidine-3,4,5-triol
CID 95162773
(3R,4R)-1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
CID 71316559
2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol
CID 12766488
(2R,3R,4S,5R)-2-(hydroxymethyl)-1-(9-methoxynonyl)piperidine-3,4,5-triol
CID 132608579
(2R,3R,4R,5S)-1-[(3R)-3,7-dimethylnonyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 503975
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(trimethylsilylmethyl)piperidine-3,4,5-triol
CID 15218073

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-(2-ethoxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol?
The IUPAC name of (2R,4R)-1-(2-ethoxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol (CID 137484008) is (2R,4R)-1-(2-ethoxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2R,4R)-1-(2-ethoxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol?
The canonical SMILES for (2R,4R)-1-(2-ethoxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol is CCOCCN1CC(O)[C@@H](O)C(O)[C@H]1CO.
What is the InChIKey of (2R,4R)-1-(2-ethoxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol?
The InChIKey is MNSFMAWUKDBQJX-SEZDTBSWSA-N. The full InChI is InChI=1S/C10H21NO5/c1-2-16-4-3-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8?,9?,10-/m1/s1.
What are the key properties of (2R,4R)-1-(2-ethoxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol?
(2R,4R)-1-(2-ethoxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol has a molecular weight of 235.28 g/mol, XLogP of -2.22, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-(2-ethoxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 137484008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).