(2R,3S,4S,5S)-5-[[6-(fluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol

C13H19FN2O4 — CID 171556871

IUPAC(2R,3S,4S,5S)-5-[[6-(fluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol
SMILESCN1C[C@H](Oc2cccc(CF)n2)[C@@H](O)[C@@H](O)[C@H]1CO
InChIInChI=1S/C13H19FN2O4/c1-16-6-10(13(19)12(18)9(16)7-17)20-11-4-2-3-8(5-14)15-11/h2-4,9-10,12-13,17-19H,5-7H2,1H3/t9-,10+,12+,13-/m1/s1
InChIKeyXGEYFXRTJQRSAU-RSLMWUCJSA-N
MW286.30 g/mol
LogP-0.67
Rot. Bonds4

About (2R,3S,4S,5S)-5-[[6-(fluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol

(2R,3S,4S,5S)-5-[[6-(fluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol (PubChem CID 171556871) has the molecular formula C13H19FN2O4 and a molecular weight of 286.30 g/mol. Its IUPAC name is (2R,3S,4S,5S)-5-[[6-(fluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-5-[[6-(fluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol
PubChem CID171556871
Molecular FormulaC13H19FN2O4
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name(2R,3S,4S,5S)-5-[[6-(fluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol
SMILESCN1C[C@H](Oc2cccc(CF)n2)[C@@H](O)[C@@H](O)[C@H]1CO
InChIInChI=1S/C13H19FN2O4/c1-16-6-10(13(19)12(18)9(16)7-17)20-11-4-2-3-8(5-14)15-11/h2-4,9-10,12-13,17-19H,5-7H2,1H3/t9-,10+,12+,13-/m1/s1
InChIKeyXGEYFXRTJQRSAU-RSLMWUCJSA-N
XLogP-0.67
TPSA86.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5S)-5-[[6-(fluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol with MolForge

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Related Compounds

(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-pyridin-3-yloxyhexyl)piperidine-3,4,5-triol
CID 60170344
(6-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)pyridin-2-yl)methanol
CID 104564147
(6R)-4-cyclobutyl-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane
CID 75536860
(6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(oxan-4-yl)-1,4-oxazepane
CID 75536864
4-[2-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 172433323
1,4-Dimethyl-2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperazine
CID 172434078
cis-(1S,2R)-4-[(6-methyl-2-pyridinyl)oxymethyl]-4-[(oxan-4-ylamino)methyl]cyclopentane-1,2-diol
CID 75367900
N-methyl-N-(2-((6-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)propan-1-amine
CID 139211020
cis-(1S,2R)-4-[[(1-methylpiperidin-4-yl)amino]methyl]-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol
CID 75367898
(1R,2S,3R,5R)-3-(dimethylamino)-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol
CID 75529424
9-[(6-Methoxy-2-pyridinyl)methyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 122139662
1-(2-(6-tert-Butoxypyridin-2-yl)ethyl)-4-(2-fluorophenoxymethyl)piperidin-4-ol
CID 22248250

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-5-[[6-(fluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol?
The IUPAC name of (2R,3S,4S,5S)-5-[[6-(fluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol (CID 171556871) is (2R,3S,4S,5S)-5-[[6-(fluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5S)-5-[[6-(fluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol?
The canonical SMILES for (2R,3S,4S,5S)-5-[[6-(fluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol is CN1C[C@H](Oc2cccc(CF)n2)[C@@H](O)[C@@H](O)[C@H]1CO.
What is the InChIKey of (2R,3S,4S,5S)-5-[[6-(fluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol?
The InChIKey is XGEYFXRTJQRSAU-RSLMWUCJSA-N. The full InChI is InChI=1S/C13H19FN2O4/c1-16-6-10(13(19)12(18)9(16)7-17)20-11-4-2-3-8(5-14)15-11/h2-4,9-10,12-13,17-19H,5-7H2,1H3/t9-,10+,12+,13-/m1/s1.
What are the key properties of (2R,3S,4S,5S)-5-[[6-(fluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol?
(2R,3S,4S,5S)-5-[[6-(fluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol has a molecular weight of 286.30 g/mol, XLogP of -0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-5-[[6-(fluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol is sourced from PubChem (CID 171556871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).