1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;yttrium

C8H16NO4Y- — CID 58335936

IUPAC1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;yttrium
SMILESC[CH-]N1CC(O)C(O)C(O)C1CO.[Y]
InChIInChI=1S/C8H16NO4.Y/c1-2-9-3-6(11)8(13)7(12)5(9)4-10;/h2,5-8,10-13H,3-4H2,1H3;/q-1;
InChIKeyDWPRMRHOLAFDQL-UHFFFAOYSA-N
MW279.12 g/mol
LogP-2.08
Rot. Bonds2

About 1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;yttrium

1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;yttrium (PubChem CID 58335936) has the molecular formula C8H16NO4Y- and a molecular weight of 279.12 g/mol. Its IUPAC name is 1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;yttrium.

Molecular Properties

Compound Name1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;yttrium
PubChem CID58335936
Molecular FormulaC8H16NO4Y-
Molecular Weight279.12 g/mol
Exact Mass279.01
IUPAC Name1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;yttrium
SMILESC[CH-]N1CC(O)C(O)C(O)C1CO.[Y]
InChIInChI=1S/C8H16NO4.Y/c1-2-9-3-6(11)8(13)7(12)5(9)4-10;/h2,5-8,10-13H,3-4H2,1H3;/q-1;
InChIKeyDWPRMRHOLAFDQL-UHFFFAOYSA-N
XLogP-2.08
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 5-2.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 11816841
(3R,4R)-1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
CID 71316559
(2S,3R,4R,5S)-1-tert-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 130313759
(2R,3R,4S,5R)-2-(hydroxymethyl)-1-(9-methoxynonyl)piperidine-3,4,5-triol
CID 132608579
(3R,4R,5S)-2-(hydroxymethyl)-1-pentylpiperidine-3,4,5-triol
CID 173374212
2-(hydroxymethyl)-1-octylpiperidine-3,4,5-triol
CID 12766488
(2R,3R,4R,5S)-1-(1-deuteriobutyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 54367336
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(trimethylsilylmethyl)piperidine-3,4,5-triol
CID 15218073
(2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol;tungsten
CID 59014492
(2R,3S,4R,5S)-1-ethenoxy-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 66694775
(3R,4R)-1-(12-aminododecyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 46780261
(2R,4R)-1-(2-ethoxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 137484008

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;yttrium?
The IUPAC name of 1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;yttrium (CID 58335936) is 1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;yttrium.
What is the SMILES notation for 1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;yttrium?
The canonical SMILES for 1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;yttrium is C[CH-]N1CC(O)C(O)C(O)C1CO.[Y].
What is the InChIKey of 1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;yttrium?
The InChIKey is DWPRMRHOLAFDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO4.Y/c1-2-9-3-6(11)8(13)7(12)5(9)4-10;/h2,5-8,10-13H,3-4H2,1H3;/q-1;.
What are the key properties of 1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;yttrium?
1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;yttrium has a molecular weight of 279.12 g/mol, XLogP of -2.08, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;yttrium is sourced from PubChem (CID 58335936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).