(3S,4S,5S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol

C11H13F3N2O3 — CID 171558566

IUPAC(3S,4S,5S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
SMILESO[C@@H]1[C@@H](Oc2cccc(C(F)(F)F)n2)CNC[C@@H]1O
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)8-2-1-3-9(16-8)19-7-5-15-4-6(17)10(7)18/h1-3,6-7,10,15,17-18H,4-5H2/t6-,7-,10-/m0/s1
InChIKeyVOVMXQGEBCDHNW-BYULHYEWSA-N
MW278.23 g/mol
LogP0.17
Rot. Bonds2

About (3S,4S,5S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol

(3S,4S,5S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol (PubChem CID 171558566) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is (3S,4S,5S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S,5S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
PubChem CID171558566
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name(3S,4S,5S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
SMILESO[C@@H]1[C@@H](Oc2cccc(C(F)(F)F)n2)CNC[C@@H]1O
InChIInChI=1S/C11H13F3N2O3/c12-11(13,14)8-2-1-3-9(16-8)19-7-5-15-4-6(17)10(7)18/h1-3,6-7,10,15,17-18H,4-5H2/t6-,7-,10-/m0/s1
InChIKeyVOVMXQGEBCDHNW-BYULHYEWSA-N
XLogP0.17
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3S,4S,5S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol with MolForge

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Related Compounds

2-{[6-(Trifluoromethyl)pyridin-2-yl]oxy}ethan-1-amine
CID 62347988
2-Piperidin-3-yloxy-6-(trifluoromethyl)pyridine
CID 62348720
4-Methyl-5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pentan-2-ol
CID 92044533
2-Methyl-6-(piperidin-4-yloxy)pyridine dihydrochloride
CID 22499431
2-[3-(Tert-butylamino)-2-hydroxypropoxy]-6-methylpyridine-3-carbonitrile
CID 12566185
4-[2-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 172433323
1,4-Dimethyl-2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperazine
CID 172434078
1-[2-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperazine
CID 172434533
N-methyl-N-(2-((6-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)propan-1-amine
CID 139211020
(R)-6-(6-methylpyridin-2-yloxy)-1,4-oxazepane
CID 77059087
2-((6-(Trifluoromethyl)pyridin-2-yl)oxy)ethan-1-ol
CID 84596667
(3S)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-2-one
CID 164633469

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The IUPAC name of (3S,4S,5S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol (CID 171558566) is (3S,4S,5S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol.
What is the SMILES notation for (3S,4S,5S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The canonical SMILES for (3S,4S,5S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol is O[C@@H]1[C@@H](Oc2cccc(C(F)(F)F)n2)CNC[C@@H]1O.
What is the InChIKey of (3S,4S,5S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The InChIKey is VOVMXQGEBCDHNW-BYULHYEWSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c12-11(13,14)8-2-1-3-9(16-8)19-7-5-15-4-6(17)10(7)18/h1-3,6-7,10,15,17-18H,4-5H2/t6-,7-,10-/m0/s1.
What are the key properties of (3S,4S,5S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
(3S,4S,5S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol has a molecular weight of 278.23 g/mol, XLogP of 0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol is sourced from PubChem (CID 171558566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).