(2R,3R,4S,5S)-2-(piperidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol

C17H23F3N2O4 — CID 171557268

IUPAC(2R,3R,4S,5S)-2-(piperidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](Oc2cccc(C(F)(F)F)n2)CO[C@@H]1CN1CCCCC1
InChIInChI=1S/C17H23F3N2O4/c18-17(19,20)13-5-4-6-14(21-13)26-12-10-25-11(15(23)16(12)24)9-22-7-2-1-3-8-22/h4-6,11-12,15-16,23-24H,1-3,7-10H2/t11-,12+,15+,16-/m1/s1
InChIKeyKGVFNCFFNYIMHF-GUYJKWIASA-N
MW376.38 g/mol
LogP1.45
Rot. Bonds4

About (2R,3R,4S,5S)-2-(piperidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol

(2R,3R,4S,5S)-2-(piperidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (PubChem CID 171557268) has the molecular formula C17H23F3N2O4 and a molecular weight of 376.38 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-(piperidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-(piperidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
PubChem CID171557268
Molecular FormulaC17H23F3N2O4
Molecular Weight376.38 g/mol
Exact Mass376.16
IUPAC Name(2R,3R,4S,5S)-2-(piperidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESO[C@@H]1[C@H](O)[C@@H](Oc2cccc(C(F)(F)F)n2)CO[C@@H]1CN1CCCCC1
InChIInChI=1S/C17H23F3N2O4/c18-17(19,20)13-5-4-6-14(21-13)26-12-10-25-11(15(23)16(12)24)9-22-7-2-1-3-8-22/h4-6,11-12,15-16,23-24H,1-3,7-10H2/t11-,12+,15+,16-/m1/s1
InChIKeyKGVFNCFFNYIMHF-GUYJKWIASA-N
XLogP1.45
TPSA75.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4S,5S)-2-(piperidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol with MolForge

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Related Compounds

2-Piperidin-3-yloxy-6-(trifluoromethyl)pyridine
CID 62348720
(6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(oxan-4-yl)-1,4-oxazepane
CID 75536864
4-[2-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 172433323
1,4-Dimethyl-2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperazine
CID 172434078
N-methyl-N-(2-((6-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)propan-1-amine
CID 139211020
2-((6-(Trifluoromethyl)pyridin-2-yl)oxy)ethan-1-ol
CID 84596667
1,1,1-Trifluoro-3-[(3-phenoxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol
CID 10276450
1,1,1-Trifluoro-3-[(6-phenoxy-2-pyridinyl)methoxy]-2-(trifluoromethoxy)propan-2-ol
CID 19753530
1-(2-(6-tert-Butoxypyridin-2-yl)ethyl)-4-(2-fluorophenoxymethyl)piperidin-4-ol
CID 22248250
(6-Trifluoromethyl-2,3-dihydro[1,4]dioxino[2,3-b]pyridine-2-yl)methanol
CID 66718751
4-[[2-Piperidin-4-yloxy-6-(trifluoromethyl)pyridin-4-yl]methyl]morpholine
CID 67615542
5-[[2-Piperidin-4-yloxy-6-(trifluoromethyl)pyridin-4-yl]methylamino]pentan-1-ol
CID 67618868

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-(piperidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5S)-2-(piperidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (CID 171557268) is (2R,3R,4S,5S)-2-(piperidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5S)-2-(piperidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5S)-2-(piperidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is O[C@@H]1[C@H](O)[C@@H](Oc2cccc(C(F)(F)F)n2)CO[C@@H]1CN1CCCCC1.
What is the InChIKey of (2R,3R,4S,5S)-2-(piperidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The InChIKey is KGVFNCFFNYIMHF-GUYJKWIASA-N. The full InChI is InChI=1S/C17H23F3N2O4/c18-17(19,20)13-5-4-6-14(21-13)26-12-10-25-11(15(23)16(12)24)9-22-7-2-1-3-8-22/h4-6,11-12,15-16,23-24H,1-3,7-10H2/t11-,12+,15+,16-/m1/s1.
What are the key properties of (2R,3R,4S,5S)-2-(piperidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
(2R,3R,4S,5S)-2-(piperidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol has a molecular weight of 376.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-(piperidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is sourced from PubChem (CID 171557268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).