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

C12H15F3N2O3 — CID 171557089

IUPAC(3S,4S,5S)-1-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
SMILESCN1C[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C12H15F3N2O3/c1-17-5-7(18)11(19)8(6-17)20-10-4-2-3-9(16-10)12(13,14)15/h2-4,7-8,11,18-19H,5-6H2,1H3/t7-,8-,11-/m0/s1
InChIKeyMZAGCEZMGNLZKD-LAEOZQHASA-N
MW292.26 g/mol
LogP0.51
Rot. Bonds2

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

(3S,4S,5S)-1-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol (PubChem CID 171557089) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is (3S,4S,5S)-1-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S,5S)-1-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
PubChem CID171557089
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name(3S,4S,5S)-1-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
SMILESCN1C[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C12H15F3N2O3/c1-17-5-7(18)11(19)8(6-17)20-10-4-2-3-9(16-10)12(13,14)15/h2-4,7-8,11,18-19H,5-6H2,1H3/t7-,8-,11-/m0/s1
InChIKeyMZAGCEZMGNLZKD-LAEOZQHASA-N
XLogP0.51
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Piperidin-3-yloxy-6-(trifluoromethyl)pyridine
CID 62348720
(6-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)pyridin-2-yl)methanol
CID 104564147
(6R)-4-cyclobutyl-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane
CID 75536860
(6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(oxan-4-yl)-1,4-oxazepane
CID 75536864
(3S,4S)-3-(3-fluorophenoxy)-1-[(3-fluoro-2-pyridinyl)methyl]-4-methylpiperidin-4-ol
CID 118740170
4-[2-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 172433323
1,4-Dimethyl-2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperazine
CID 172434078
1-[2-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperazine
CID 172434533
2-(2-Phenoxyethoxy)-6-(trifluoromethyl)pyridine
CID 172434774
N-methyl-N-(2-((6-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)propan-1-amine
CID 139211020
N,2-dimethyl-N-(2-((6-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)propan-1-amine
CID 139211029
1-Piperidin-1-yl-3-pyridin-2-yloxypropan-2-ol
CID 91427415

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-1-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The IUPAC name of (3S,4S,5S)-1-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol (CID 171557089) is (3S,4S,5S)-1-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol.
What is the SMILES notation for (3S,4S,5S)-1-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The canonical SMILES for (3S,4S,5S)-1-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol is CN1C[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3S,4S,5S)-1-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The InChIKey is MZAGCEZMGNLZKD-LAEOZQHASA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-17-5-7(18)11(19)8(6-17)20-10-4-2-3-9(16-10)12(13,14)15/h2-4,7-8,11,18-19H,5-6H2,1H3/t7-,8-,11-/m0/s1.
What are the key properties of (3S,4S,5S)-1-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
(3S,4S,5S)-1-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol has a molecular weight of 292.26 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-1-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol is sourced from PubChem (CID 171557089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).