(3S,4S,5S)-5-[6-(1,1-difluoroethyl)pyrazin-2-yl]oxypiperidine-3,4-diol

C11H15F2N3O3 — CID 171558092

IUPAC(3S,4S,5S)-5-[6-(1,1-difluoroethyl)pyrazin-2-yl]oxypiperidine-3,4-diol
SMILESCC(F)(F)c1cncc(O[C@H]2CNC[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C11H15F2N3O3/c1-11(12,13)8-4-15-5-9(16-8)19-7-3-14-2-6(17)10(7)18/h4-7,10,14,17-18H,2-3H2,1H3/t6-,7-,10-/m0/s1
InChIKeyDTHSPLIFFHMBKM-BYULHYEWSA-N
MW275.25 g/mol
LogP-0.34
Rot. Bonds3

About (3S,4S,5S)-5-[6-(1,1-difluoroethyl)pyrazin-2-yl]oxypiperidine-3,4-diol

(3S,4S,5S)-5-[6-(1,1-difluoroethyl)pyrazin-2-yl]oxypiperidine-3,4-diol (PubChem CID 171558092) has the molecular formula C11H15F2N3O3 and a molecular weight of 275.25 g/mol. Its IUPAC name is (3S,4S,5S)-5-[6-(1,1-difluoroethyl)pyrazin-2-yl]oxypiperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S,5S)-5-[6-(1,1-difluoroethyl)pyrazin-2-yl]oxypiperidine-3,4-diol
PubChem CID171558092
Molecular FormulaC11H15F2N3O3
Molecular Weight275.25 g/mol
Exact Mass275.11
IUPAC Name(3S,4S,5S)-5-[6-(1,1-difluoroethyl)pyrazin-2-yl]oxypiperidine-3,4-diol
SMILESCC(F)(F)c1cncc(O[C@H]2CNC[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C11H15F2N3O3/c1-11(12,13)8-4-15-5-9(16-8)19-7-3-14-2-6(17)10(7)18/h4-7,10,14,17-18H,2-3H2,1H3/t6-,7-,10-/m0/s1
InChIKeyDTHSPLIFFHMBKM-BYULHYEWSA-N
XLogP-0.34
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3S,4S,5S)-5-[6-(1,1-difluoroethyl)pyrazin-2-yl]oxypiperidine-3,4-diol with MolForge

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Related Compounds

2-Piperidin-3-yloxy-5-(trifluoromethyl)pyrazine
CID 134503477
2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine
CID 141419453
(3S,4S,5S)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol
CID 171557144
(3S,4S,5S)-1-propan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol
CID 171557903
(3S,4S)-1-(methylamino)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol
CID 178007712
(3S,4S,5S)-1-(methylamino)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol
CID 178008252
2-[5-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyrazin-2-yl]propan-2-ol
CID 178170942
2-Ethyl-6-piperidin-4-yloxypyrazine
CID 54401866
2-Ethyl-5-piperidin-4-yloxypyrazine
CID 68166298
3-(5-Ethylpyrazin-2-yl)oxypropane-1,2-diol
CID 91059811
(2S)-3-(5-ethylpyrazin-2-yl)oxypropane-1,2-diol
CID 132192385
(2R)-3-(6-ethylpyrazin-2-yl)oxypropane-1,2-diol
CID 135202827

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-5-[6-(1,1-difluoroethyl)pyrazin-2-yl]oxypiperidine-3,4-diol?
The IUPAC name of (3S,4S,5S)-5-[6-(1,1-difluoroethyl)pyrazin-2-yl]oxypiperidine-3,4-diol (CID 171558092) is (3S,4S,5S)-5-[6-(1,1-difluoroethyl)pyrazin-2-yl]oxypiperidine-3,4-diol.
What is the SMILES notation for (3S,4S,5S)-5-[6-(1,1-difluoroethyl)pyrazin-2-yl]oxypiperidine-3,4-diol?
The canonical SMILES for (3S,4S,5S)-5-[6-(1,1-difluoroethyl)pyrazin-2-yl]oxypiperidine-3,4-diol is CC(F)(F)c1cncc(O[C@H]2CNC[C@H](O)[C@@H]2O)n1.
What is the InChIKey of (3S,4S,5S)-5-[6-(1,1-difluoroethyl)pyrazin-2-yl]oxypiperidine-3,4-diol?
The InChIKey is DTHSPLIFFHMBKM-BYULHYEWSA-N. The full InChI is InChI=1S/C11H15F2N3O3/c1-11(12,13)8-4-15-5-9(16-8)19-7-3-14-2-6(17)10(7)18/h4-7,10,14,17-18H,2-3H2,1H3/t6-,7-,10-/m0/s1.
What are the key properties of (3S,4S,5S)-5-[6-(1,1-difluoroethyl)pyrazin-2-yl]oxypiperidine-3,4-diol?
(3S,4S,5S)-5-[6-(1,1-difluoroethyl)pyrazin-2-yl]oxypiperidine-3,4-diol has a molecular weight of 275.25 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-5-[6-(1,1-difluoroethyl)pyrazin-2-yl]oxypiperidine-3,4-diol is sourced from PubChem (CID 171558092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).