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

C16H15F4N3O3 — CID 178008628

IUPAC(3S,4S,5S)-1-(5-fluoro-2-pyridinyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
SMILESO[C@@H]1[C@@H](Oc2cccc(C(F)(F)F)n2)CN(c2ccc(F)cn2)C[C@@H]1O
InChIInChI=1S/C16H15F4N3O3/c17-9-4-5-13(21-6-9)23-7-10(24)15(25)11(8-23)26-14-3-1-2-12(22-14)16(18,19)20/h1-6,10-11,15,24-25H,7-8H2/t10-,11-,15-/m0/s1
InChIKeyKUCSOGGOIRDGOH-PGUXBMHVSA-N
MW373.31 g/mol
LogP1.62
Rot. Bonds3

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

(3S,4S,5S)-1-(5-fluoro-2-pyridinyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol (PubChem CID 178008628) has the molecular formula C16H15F4N3O3 and a molecular weight of 373.31 g/mol. Its IUPAC name is (3S,4S,5S)-1-(5-fluoro-2-pyridinyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S,5S)-1-(5-fluoro-2-pyridinyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
PubChem CID178008628
Molecular FormulaC16H15F4N3O3
Molecular Weight373.31 g/mol
Exact Mass373.10
IUPAC Name(3S,4S,5S)-1-(5-fluoro-2-pyridinyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
SMILESO[C@@H]1[C@@H](Oc2cccc(C(F)(F)F)n2)CN(c2ccc(F)cn2)C[C@@H]1O
InChIInChI=1S/C16H15F4N3O3/c17-9-4-5-13(21-6-9)23-7-10(24)15(25)11(8-23)26-14-3-1-2-12(22-14)16(18,19)20/h1-6,10-11,15,24-25H,7-8H2/t10-,11-,15-/m0/s1
InChIKeyKUCSOGGOIRDGOH-PGUXBMHVSA-N
XLogP1.62
TPSA78.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

1-(4-Fluorophenoxy)-4-[4-(2-pyridinyl)-1-piperazinyl]-2-butanol dihydrochloride
CID 14422884
1-(4-Fluorophenoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
CID 2795665
1-Phenoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-ol
CID 2809867
1-Phenoxy-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol
CID 13120480
1-(4-Fluorophenoxy)-4-[4-(2-pyridinyl)-1-piperazinyl]-2-butanol
CID 14422883
(7R,8aS)-2-[6-(trifluoromethyl)pyridin-2-yl]-7-[6-(trifluoromethyl)pyridin-2-yl]oxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 71548367
4-[2-Chloro-5-fluoro-6-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrimidin-4-yl]morpholine
CID 87758102
4-[2-Chloro-5-fluoro-6-[2-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrimidin-4-yl]morpholine
CID 87758105
2-[[5-[(5-Fluoro-3-methoxy-4-piperidin-4-yloxy-2-pyridinyl)amino]-6-methyl-2-pyridinyl]oxy]ethanol
CID 91133472
3-[4-[Hydroxy-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]methyl]pyridin-2-yl]oxypropane-1,2-diol
CID 123650337
1-[2-Amino-4-(1-ethylpiperidin-4-yl)pyrimidin-5-yl]-2-[[5-ethyl-6-(trifluoromethyl)-2-pyridinyl]oxy]ethanol
CID 123671016
(1R,2S,3R)-3-(8-fluoropyrido[3,2-b][1,4]benzoxazin-10-yl)cyclohexane-1,2-diol
CID 124193010

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-1-(5-fluoro-2-pyridinyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The IUPAC name of (3S,4S,5S)-1-(5-fluoro-2-pyridinyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol (CID 178008628) is (3S,4S,5S)-1-(5-fluoro-2-pyridinyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol.
What is the SMILES notation for (3S,4S,5S)-1-(5-fluoro-2-pyridinyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The canonical SMILES for (3S,4S,5S)-1-(5-fluoro-2-pyridinyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol is O[C@@H]1[C@@H](Oc2cccc(C(F)(F)F)n2)CN(c2ccc(F)cn2)C[C@@H]1O.
What is the InChIKey of (3S,4S,5S)-1-(5-fluoro-2-pyridinyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The InChIKey is KUCSOGGOIRDGOH-PGUXBMHVSA-N. The full InChI is InChI=1S/C16H15F4N3O3/c17-9-4-5-13(21-6-9)23-7-10(24)15(25)11(8-23)26-14-3-1-2-12(22-14)16(18,19)20/h1-6,10-11,15,24-25H,7-8H2/t10-,11-,15-/m0/s1.
What are the key properties of (3S,4S,5S)-1-(5-fluoro-2-pyridinyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
(3S,4S,5S)-1-(5-fluoro-2-pyridinyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol has a molecular weight of 373.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-1-(5-fluoro-2-pyridinyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol is sourced from PubChem (CID 178008628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).