(2R,3R,4R,5R,6R)-6-methylpiperidine-2,3,4,5-tetrol

C6H13NO4 — CID 102427620

IUPAC(2R,3R,4R,5R,6R)-6-methylpiperidine-2,3,4,5-tetrol
SMILESC[C@H]1N[C@H](O)[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO4/c1-2-3(8)4(9)5(10)6(11)7-2/h2-11H,1H3/t2-,3-,4-,5-,6-/m1/s1
InChIKeyXNAOURWCCAEPNE-QZABAPFNSA-N
MW163.17 g/mol
LogP-2.62
Rot. Bonds

About (2R,3R,4R,5R,6R)-6-methylpiperidine-2,3,4,5-tetrol

(2R,3R,4R,5R,6R)-6-methylpiperidine-2,3,4,5-tetrol (PubChem CID 102427620) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-6-methylpiperidine-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6R)-6-methylpiperidine-2,3,4,5-tetrol
PubChem CID102427620
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name(2R,3R,4R,5R,6R)-6-methylpiperidine-2,3,4,5-tetrol
SMILESC[C@H]1N[C@H](O)[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO4/c1-2-3(8)4(9)5(10)6(11)7-2/h2-11H,1H3/t2-,3-,4-,5-,6-/m1/s1
InChIKeyXNAOURWCCAEPNE-QZABAPFNSA-N
XLogP-2.62
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-2.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-2,5-dimethylpyrrolidine-3,4-diol
CID 163883112
(3S,4R)-3-amino-4-methylazetidin-2-ol
CID 118102125
(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
(3R,6R)-2-methyl-6-(methylaminooxy)piperidine-3,4,5-triol
CID 144581107
(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
(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-N,6-dimethylpiperidine-2-carboxamide
CID 10488407
(2S,3S,4R,5S)-2-(2-aminoethyl)-5-methylpyrrolidine-3,4-diol
CID 132918961
N-[(3,4,5-trihydroxy-6-methylpiperidin-2-yl)methyl]acetamide
CID 53432038

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6R)-6-methylpiperidine-2,3,4,5-tetrol?
The IUPAC name of (2R,3R,4R,5R,6R)-6-methylpiperidine-2,3,4,5-tetrol (CID 102427620) is (2R,3R,4R,5R,6R)-6-methylpiperidine-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3R,4R,5R,6R)-6-methylpiperidine-2,3,4,5-tetrol?
The canonical SMILES for (2R,3R,4R,5R,6R)-6-methylpiperidine-2,3,4,5-tetrol is C[C@H]1N[C@H](O)[C@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5R,6R)-6-methylpiperidine-2,3,4,5-tetrol?
The InChIKey is XNAOURWCCAEPNE-QZABAPFNSA-N. The full InChI is InChI=1S/C6H13NO4/c1-2-3(8)4(9)5(10)6(11)7-2/h2-11H,1H3/t2-,3-,4-,5-,6-/m1/s1.
What are the key properties of (2R,3R,4R,5R,6R)-6-methylpiperidine-2,3,4,5-tetrol?
(2R,3R,4R,5R,6R)-6-methylpiperidine-2,3,4,5-tetrol has a molecular weight of 163.17 g/mol, XLogP of -2.62, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6R)-6-methylpiperidine-2,3,4,5-tetrol is sourced from PubChem (CID 102427620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).