(3S,4S,5S)-1-pyrazin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol

C15H15F3N4O3 — CID 171558613

IUPAC(3S,4S,5S)-1-pyrazin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
SMILESO[C@@H]1[C@@H](Oc2cccc(C(F)(F)F)n2)CN(c2cnccn2)C[C@@H]1O
InChIInChI=1S/C15H15F3N4O3/c16-15(17,18)11-2-1-3-13(21-11)25-10-8-22(7-9(23)14(10)24)12-6-19-4-5-20-12/h1-6,9-10,14,23-24H,7-8H2/t9-,10-,14-/m0/s1
InChIKeyDHJPUXLLMAGPJI-BHDSKKPTSA-N
MW356.30 g/mol
LogP0.88
Rot. Bonds3

About (3S,4S,5S)-1-pyrazin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol

(3S,4S,5S)-1-pyrazin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol (PubChem CID 171558613) has the molecular formula C15H15F3N4O3 and a molecular weight of 356.30 g/mol. Its IUPAC name is (3S,4S,5S)-1-pyrazin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S,5S)-1-pyrazin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
PubChem CID171558613
Molecular FormulaC15H15F3N4O3
Molecular Weight356.30 g/mol
Exact Mass356.11
IUPAC Name(3S,4S,5S)-1-pyrazin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
SMILESO[C@@H]1[C@@H](Oc2cccc(C(F)(F)F)n2)CN(c2cnccn2)C[C@@H]1O
InChIInChI=1S/C15H15F3N4O3/c16-15(17,18)11-2-1-3-13(21-11)25-10-8-22(7-9(23)14(10)24)12-6-19-4-5-20-12/h1-6,9-10,14,23-24H,7-8H2/t9-,10-,14-/m0/s1
InChIKeyDHJPUXLLMAGPJI-BHDSKKPTSA-N
XLogP0.88
TPSA91.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S,4S,5S)-1-pyrazin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol with MolForge

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Related Compounds

(6R)-2-nitro-6-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 137634361
(3R)-1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-ol
CID 46830899
(3S)-1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-ol
CID 46830900
1-[2-[4-(2-Pyridinylamino)phenoxy]-3-pyridinyl]-4-piperidinol
CID 46831206
1-[2-[4-(2-Pyridinylamino)phenoxy]-3-pyridinyl]-3-piperidinol
CID 46831505
4-[2-[4-(2-Pyridinylamino)phenoxy]-3-pyridinyl]-1-piperazineethanol
CID 46831796
1-[3-[4-(2-Pyridinylamino)phenoxy]-2-pyrazinyl]-4-piperidinol
CID 46832329
1-[3-[4-(2-Pyridinylamino)phenoxy]-2-pyrazinyl]-3-piperidinol
CID 46832330
1-(4-Fluorophenoxy)-4-[4-(2-pyridinyl)-1-piperazinyl]-2-butanol dihydrochloride
CID 14422884
3-[4-[(6-Methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carbonitrile
CID 84600658
2-(4-Fluorophenoxy)-3-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]pyrazine
CID 172433822
1-Phenoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-ol
CID 2809867

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-1-pyrazin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The IUPAC name of (3S,4S,5S)-1-pyrazin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol (CID 171558613) is (3S,4S,5S)-1-pyrazin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol.
What is the SMILES notation for (3S,4S,5S)-1-pyrazin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The canonical SMILES for (3S,4S,5S)-1-pyrazin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol is O[C@@H]1[C@@H](Oc2cccc(C(F)(F)F)n2)CN(c2cnccn2)C[C@@H]1O.
What is the InChIKey of (3S,4S,5S)-1-pyrazin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The InChIKey is DHJPUXLLMAGPJI-BHDSKKPTSA-N. The full InChI is InChI=1S/C15H15F3N4O3/c16-15(17,18)11-2-1-3-13(21-11)25-10-8-22(7-9(23)14(10)24)12-6-19-4-5-20-12/h1-6,9-10,14,23-24H,7-8H2/t9-,10-,14-/m0/s1.
What are the key properties of (3S,4S,5S)-1-pyrazin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
(3S,4S,5S)-1-pyrazin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol has a molecular weight of 356.30 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-1-pyrazin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol is sourced from PubChem (CID 171558613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).