1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol

C17H24F3N3O3 — CID 157038916

IUPAC1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
SMILESOC1CN(C[C@@H]2CCCN(c3cccc(C(F)(F)F)n3)C2)CC(O)C1O
InChIInChI=1S/C17H24F3N3O3/c18-17(19,20)14-4-1-5-15(21-14)23-6-2-3-11(8-23)7-22-9-12(24)16(26)13(25)10-22/h1,4-5,11-13,16,24-26H,2-3,6-10H2/t11-,12?,13?,16?/m0/s1
InChIKeyTYLHVADEZFTEIX-KWDKGFIESA-N
MW375.39 g/mol
LogP0.72
Rot. Bonds3

About 1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol

1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol (PubChem CID 157038916) has the molecular formula C17H24F3N3O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
PubChem CID157038916
Molecular FormulaC17H24F3N3O3
Molecular Weight375.39 g/mol
Exact Mass375.18
IUPAC Name1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
SMILESOC1CN(C[C@@H]2CCCN(c3cccc(C(F)(F)F)n3)C2)CC(O)C1O
InChIInChI=1S/C17H24F3N3O3/c18-17(19,20)14-4-1-5-15(21-14)23-6-2-3-11(8-23)7-22-9-12(24)16(26)13(25)10-22/h1,4-5,11-13,16,24-26H,2-3,6-10H2/t11-,12?,13?,16?/m0/s1
InChIKeyTYLHVADEZFTEIX-KWDKGFIESA-N
XLogP0.72
TPSA80.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
[(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
4-[[1-(6-Methylpyridin-2-yl)piperidin-3-yl]methyl]morpholine
CID 86797229
(4S)-1-[6-(trifluoromethyl)-2-pyridinyl]azepan-4-ol
CID 164635074
(3S)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-ol
CID 171359887

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol?
The IUPAC name of 1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol (CID 157038916) is 1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol.
What is the SMILES notation for 1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol?
The canonical SMILES for 1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol is OC1CN(C[C@@H]2CCCN(c3cccc(C(F)(F)F)n3)C2)CC(O)C1O.
What is the InChIKey of 1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol?
The InChIKey is TYLHVADEZFTEIX-KWDKGFIESA-N. The full InChI is InChI=1S/C17H24F3N3O3/c18-17(19,20)14-4-1-5-15(21-14)23-6-2-3-11(8-23)7-22-9-12(24)16(26)13(25)10-22/h1,4-5,11-13,16,24-26H,2-3,6-10H2/t11-,12?,13?,16?/m0/s1.
What are the key properties of 1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol?
1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol has a molecular weight of 375.39 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 157038916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).