(3R,6R)-2-methyl-6-(methylaminooxy)piperidine-3,4,5-triol

C7H16N2O4 — CID 144581107

IUPAC(3R,6R)-2-methyl-6-(methylaminooxy)piperidine-3,4,5-triol
SMILESCNO[C@H]1NC(C)[C@@H](O)C(O)C1O
InChIInChI=1S/C7H16N2O4/c1-3-4(10)5(11)6(12)7(9-3)13-8-2/h3-12H,1-2H3/t3?,4-,5?,6?,7-/m1/s1
InChIKeyHUHQPNYXWPUXCV-XFQYLJLSSA-N
MW192.22 g/mol
LogP-2.46
Rot. Bonds2

About (3R,6R)-2-methyl-6-(methylaminooxy)piperidine-3,4,5-triol

(3R,6R)-2-methyl-6-(methylaminooxy)piperidine-3,4,5-triol (PubChem CID 144581107) has the molecular formula C7H16N2O4 and a molecular weight of 192.22 g/mol. Its IUPAC name is (3R,6R)-2-methyl-6-(methylaminooxy)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(3R,6R)-2-methyl-6-(methylaminooxy)piperidine-3,4,5-triol
PubChem CID144581107
Molecular FormulaC7H16N2O4
Molecular Weight192.22 g/mol
Exact Mass192.11
IUPAC Name(3R,6R)-2-methyl-6-(methylaminooxy)piperidine-3,4,5-triol
SMILESCNO[C@H]1NC(C)[C@@H](O)C(O)C1O
InChIInChI=1S/C7H16N2O4/c1-3-4(10)5(11)6(12)7(9-3)13-8-2/h3-12H,1-2H3/t3?,4-,5?,6?,7-/m1/s1
InChIKeyHUHQPNYXWPUXCV-XFQYLJLSSA-N
XLogP-2.46
TPSA93.98 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-2.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2,5-dimethylpyrrolidine-3,4-diol
CID 163883112
(2R,3R,4R,5R,6R)-6-methylpiperidine-2,3,4,5-tetrol
CID 102427620
(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-N,6-dimethylpiperidine-2-carboxamide
CID 10488407
(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-methylpiperidine-3,4,5-triol
CID 10654879
(2S,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol
CID 10420740
(2S,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 89290989
(4S)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 59973652
(2R,4R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 59658610
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol
CID 21129912
N-[(3,4,5-trihydroxy-6-methylpiperidin-2-yl)methyl]acetamide
CID 53432038
(1R,3S,4R,6S)-4,6-bis(methylamino)cyclohexane-1,2,3,5-tetrol;dihydrochloride
CID 129011902
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(methylaminooxy)oxane-3,4,5-triol
CID 138645739

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-2-methyl-6-(methylaminooxy)piperidine-3,4,5-triol?
The IUPAC name of (3R,6R)-2-methyl-6-(methylaminooxy)piperidine-3,4,5-triol (CID 144581107) is (3R,6R)-2-methyl-6-(methylaminooxy)piperidine-3,4,5-triol.
What is the SMILES notation for (3R,6R)-2-methyl-6-(methylaminooxy)piperidine-3,4,5-triol?
The canonical SMILES for (3R,6R)-2-methyl-6-(methylaminooxy)piperidine-3,4,5-triol is CNO[C@H]1NC(C)[C@@H](O)C(O)C1O.
What is the InChIKey of (3R,6R)-2-methyl-6-(methylaminooxy)piperidine-3,4,5-triol?
The InChIKey is HUHQPNYXWPUXCV-XFQYLJLSSA-N. The full InChI is InChI=1S/C7H16N2O4/c1-3-4(10)5(11)6(12)7(9-3)13-8-2/h3-12H,1-2H3/t3?,4-,5?,6?,7-/m1/s1.
What are the key properties of (3R,6R)-2-methyl-6-(methylaminooxy)piperidine-3,4,5-triol?
(3R,6R)-2-methyl-6-(methylaminooxy)piperidine-3,4,5-triol has a molecular weight of 192.22 g/mol, XLogP of -2.46, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-2-methyl-6-(methylaminooxy)piperidine-3,4,5-triol is sourced from PubChem (CID 144581107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).