(3R,4R)-1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4-diol

C17H24F3N3O2 — CID 166834244

IUPAC(3R,4R)-1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4-diol
SMILESO[C@@H]1CCN(C[C@@H]2CCCN(c3cccc(C(F)(F)F)n3)C2)C[C@H]1O
InChIInChI=1S/C17H24F3N3O2/c18-17(19,20)15-4-1-5-16(21-15)23-7-2-3-12(10-23)9-22-8-6-13(24)14(25)11-22/h1,4-5,12-14,24-25H,2-3,6-11H2/t12-,13+,14+/m0/s1
InChIKeyXTAURRLGYFPZCG-BFHYXJOUSA-N
MW359.39 g/mol
LogP1.74
Rot. Bonds3

About (3R,4R)-1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4-diol

(3R,4R)-1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4-diol (PubChem CID 166834244) has the molecular formula C17H24F3N3O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is (3R,4R)-1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4-diol
PubChem CID166834244
Molecular FormulaC17H24F3N3O2
Molecular Weight359.39 g/mol
Exact Mass359.18
IUPAC Name(3R,4R)-1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4-diol
SMILESO[C@@H]1CCN(C[C@@H]2CCCN(c3cccc(C(F)(F)F)n3)C2)C[C@H]1O
InChIInChI=1S/C17H24F3N3O2/c18-17(19,20)15-4-1-5-16(21-15)23-7-2-3-12(10-23)9-22-8-6-13(24)14(25)11-22/h1,4-5,12-14,24-25H,2-3,6-11H2/t12-,13+,14+/m0/s1
InChIKeyXTAURRLGYFPZCG-BFHYXJOUSA-N
XLogP1.74
TPSA59.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]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

(2R)-2-[[3-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]pyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312676
(2R)-2-[[6-(4,4-difluoropiperidin-1-yl)-3-fluoropyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312689
3-(Piperidin-1-ylmethyl)-1-[6-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-ol
CID 70711048
2-[ethyl-[[(3R,4R)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]amino]ethanol
CID 70706670
2-[ethyl({(3R*,4R*)-4-(hydroxymethyl)-1-[6-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl}methyl)amino]ethanol
CID 70709352
2-[({(3R*,4R*)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl}methyl)(methyl)amino]ethanol
CID 70712052
[(3R*,4R*)-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 70759852
4-[4-[6-(Dimethylamino)-2-pyridinyl]piperidin-1-yl]oxolan-3-ol
CID 118740122
1-[6-(Trifluoromethyl)pyridin-2-yl]pyrrolidin-3-ol
CID 62917315
[(2S)-1,9-dimethyl-5-(1-methylpiperidin-4-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 75529260
4-(Hydroxymethyl)-1-[6-(trifluoromethyl)pyridin-2-yl]piperidin-4-ol
CID 56755379
3-[(3R,4S)-4-(dimethylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propan-1-ol
CID 72878668

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4-diol?
The IUPAC name of (3R,4R)-1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4-diol (CID 166834244) is (3R,4R)-1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4-diol.
What is the SMILES notation for (3R,4R)-1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4-diol?
The canonical SMILES for (3R,4R)-1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4-diol is O[C@@H]1CCN(C[C@@H]2CCCN(c3cccc(C(F)(F)F)n3)C2)C[C@H]1O.
What is the InChIKey of (3R,4R)-1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4-diol?
The InChIKey is XTAURRLGYFPZCG-BFHYXJOUSA-N. The full InChI is InChI=1S/C17H24F3N3O2/c18-17(19,20)15-4-1-5-16(21-15)23-7-2-3-12(10-23)9-22-8-6-13(24)14(25)11-22/h1,4-5,12-14,24-25H,2-3,6-11H2/t12-,13+,14+/m0/s1.
What are the key properties of (3R,4R)-1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4-diol?
(3R,4R)-1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4-diol has a molecular weight of 359.39 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4-diol is sourced from PubChem (CID 166834244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).