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

C17H24F3N3O3 — CID 157039380

IUPAC(3S,6R)-6-(hydroxymethyl)-1-[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4-diol
SMILESOC[C@H]1CC(O)[C@@H](O)CN1CC1CCN(c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C17H24F3N3O3/c18-17(19,20)13-2-1-4-21-16(13)22-5-3-11(7-22)8-23-9-15(26)14(25)6-12(23)10-24/h1-2,4,11-12,14-15,24-26H,3,5-10H2/t11?,12-,14?,15+/m1/s1
InChIKeyBMEPFLBONVSHBF-NREAYKGKSA-N
MW375.39 g/mol
LogP0.72
Rot. Bonds4

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

(3S,6R)-6-(hydroxymethyl)-1-[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4-diol (PubChem CID 157039380) has the molecular formula C17H24F3N3O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is (3S,6R)-6-(hydroxymethyl)-1-[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,6R)-6-(hydroxymethyl)-1-[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4-diol
PubChem CID157039380
Molecular FormulaC17H24F3N3O3
Molecular Weight375.39 g/mol
Exact Mass375.18
IUPAC Name(3S,6R)-6-(hydroxymethyl)-1-[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4-diol
SMILESOC[C@H]1CC(O)[C@@H](O)CN1CC1CCN(c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C17H24F3N3O3/c18-17(19,20)13-2-1-4-21-16(13)22-5-3-11(7-22)8-23-9-15(26)14(25)6-12(23)10-24/h1-2,4,11-12,14-15,24-26H,3,5-10H2/t11?,12-,14?,15+/m1/s1
InChIKeyBMEPFLBONVSHBF-NREAYKGKSA-N
XLogP0.72
TPSA80.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
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 (3S,6R)-6-(hydroxymethyl)-1-[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-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

1-[[(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039208
(3S,6R)-6-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidine-3,4-diol
CID 157039954
(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 94918055
2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486
(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(3-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 165061723
1-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 56716452
2-(3-pyrazol-1-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
CID 126946415
N,2,2-trimethyl-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]propanamide
CID 171702181
1-[[(3S)-1-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039204
1-[[(3R)-1-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039268
(3S)-3-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 68719907
1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 47174336

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-6-(hydroxymethyl)-1-[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4-diol?
The IUPAC name of (3S,6R)-6-(hydroxymethyl)-1-[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4-diol (CID 157039380) is (3S,6R)-6-(hydroxymethyl)-1-[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4-diol.
What is the SMILES notation for (3S,6R)-6-(hydroxymethyl)-1-[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4-diol?
The canonical SMILES for (3S,6R)-6-(hydroxymethyl)-1-[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4-diol is OC[C@H]1CC(O)[C@@H](O)CN1CC1CCN(c2ncccc2C(F)(F)F)C1.
What is the InChIKey of (3S,6R)-6-(hydroxymethyl)-1-[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4-diol?
The InChIKey is BMEPFLBONVSHBF-NREAYKGKSA-N. The full InChI is InChI=1S/C17H24F3N3O3/c18-17(19,20)13-2-1-4-21-16(13)22-5-3-11(7-22)8-23-9-15(26)14(25)6-12(23)10-24/h1-2,4,11-12,14-15,24-26H,3,5-10H2/t11?,12-,14?,15+/m1/s1.
What are the key properties of (3S,6R)-6-(hydroxymethyl)-1-[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4-diol?
(3S,6R)-6-(hydroxymethyl)-1-[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4-diol has a molecular weight of 375.39 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-(hydroxymethyl)-1-[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4-diol is sourced from PubChem (CID 157039380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).