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

C10H12F3N3O3 — CID 171557144

IUPAC(3S,4S,5S)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol
SMILESO[C@@H]1[C@@H](Oc2cncc(C(F)(F)F)n2)CNC[C@@H]1O
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)7-3-15-4-8(16-7)19-6-2-14-1-5(17)9(6)18/h3-6,9,14,17-18H,1-2H2/t5-,6-,9-/m0/s1
InChIKeyAWJMGTIOJICQCL-WATHFIQWSA-N
MW279.22 g/mol
LogP-0.43
Rot. Bonds2

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

(3S,4S,5S)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol (PubChem CID 171557144) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is (3S,4S,5S)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S,5S)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol
PubChem CID171557144
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name(3S,4S,5S)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol
SMILESO[C@@H]1[C@@H](Oc2cncc(C(F)(F)F)n2)CNC[C@@H]1O
InChIInChI=1S/C10H12F3N3O3/c11-10(12,13)7-3-15-4-8(16-7)19-6-2-14-1-5(17)9(6)18/h3-6,9,14,17-18H,1-2H2/t5-,6-,9-/m0/s1
InChIKeyAWJMGTIOJICQCL-WATHFIQWSA-N
XLogP-0.43
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-Methylpiperidin-3-yl)oxy-5-(trifluoromethyl)pyrazine
CID 134503326
2-[(3R)-1-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine
CID 134503445
2-Piperidin-3-yloxy-5-(trifluoromethyl)pyrazine
CID 134503477
2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrazine
CID 141419453
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 171556571
(2R,3S,4S,5S)-2-(hydroxymethyl)-1-methyl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol
CID 171557324
(3S,4S,5S)-1-propan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol
CID 171557903
(3S,4S,5S)-5-[6-(1,1-difluoroethyl)pyrazin-2-yl]oxypiperidine-3,4-diol
CID 171558092
(2R,3S,4S,5S)-5-[6-(difluoromethyl)pyrazin-2-yl]oxy-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol
CID 171558685
(2R,3R,4S)-2-methyl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 176953451
(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

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol?
The IUPAC name of (3S,4S,5S)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol (CID 171557144) is (3S,4S,5S)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol.
What is the SMILES notation for (3S,4S,5S)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol?
The canonical SMILES for (3S,4S,5S)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol is O[C@@H]1[C@@H](Oc2cncc(C(F)(F)F)n2)CNC[C@@H]1O.
What is the InChIKey of (3S,4S,5S)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol?
The InChIKey is AWJMGTIOJICQCL-WATHFIQWSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c11-10(12,13)7-3-15-4-8(16-7)19-6-2-14-1-5(17)9(6)18/h3-6,9,14,17-18H,1-2H2/t5-,6-,9-/m0/s1.
What are the key properties of (3S,4S,5S)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol?
(3S,4S,5S)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol has a molecular weight of 279.22 g/mol, XLogP of -0.43, 2 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-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol is sourced from PubChem (CID 171557144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).