(2R,3R,4R,5S)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol

C14H25F3N2O3 — CID 155302703

IUPAC(2R,3R,4R,5S)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol
SMILESC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O3/c1-9-12(21)13(22)11(20)7-19(9)6-10-2-4-18(5-3-10)8-14(15,16)17/h9-13,20-22H,2-8H2,1H3/t9-,11+,12-,13-/m1/s1
InChIKeyMVUYPDZQGVZHNU-GWNIPJSYSA-N
MW326.36 g/mol
LogP0.05
Rot. Bonds3

About (2R,3R,4R,5S)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol

(2R,3R,4R,5S)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol (PubChem CID 155302703) has the molecular formula C14H25F3N2O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol
PubChem CID155302703
Molecular FormulaC14H25F3N2O3
Molecular Weight326.36 g/mol
Exact Mass326.18
IUPAC Name(2R,3R,4R,5S)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol
SMILESC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O3/c1-9-12(21)13(22)11(20)7-19(9)6-10-2-4-18(5-3-10)8-14(15,16)17/h9-13,20-22H,2-8H2,1H3/t9-,11+,12-,13-/m1/s1
InChIKeyMVUYPDZQGVZHNU-GWNIPJSYSA-N
XLogP0.05
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

1-Propan-2-yl-4-(trifluoromethyl)piperidine-3,4-diol
CID 60046717
6-(Difluoromethyl)-1-propylpiperidine-3,4-diol
CID 124006826
3,3-Difluoro-1-propan-2-ylpiperidin-4-ol;ethane;2-(1-methylpiperidin-3-yl)ethanol
CID 153592479
(2R,3R,4R,5S)-1-[2-(4,4-difluorocyclohexyl)ethyl]-2-methylpiperidine-3,4,5-triol
CID 155286446
(2R,3R,4R,5S)-2-methyl-1-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 155286447
(2R,3R,4R,5S)-2-methyl-1-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 155286481
(2R,3R,4R,5S)-2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol
CID 155286499
(2R,3R,4R,5S)-1-[(4,4-difluorocyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol
CID 155286544
(2R,3R,4R,5S)-2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 155286565
(2S,3R,4R,5S)-2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 155286634
(2R,3R,4R,5S)-2-methyl-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 155302439
(2R,3R,4R,5S)-2-methyl-1-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 155302440

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol (CID 155302703) is (2R,3R,4R,5S)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol is C[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of (2R,3R,4R,5S)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol?
The InChIKey is MVUYPDZQGVZHNU-GWNIPJSYSA-N. The full InChI is InChI=1S/C14H25F3N2O3/c1-9-12(21)13(22)11(20)7-19(9)6-10-2-4-18(5-3-10)8-14(15,16)17/h9-13,20-22H,2-8H2,1H3/t9-,11+,12-,13-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol?
(2R,3R,4R,5S)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol has a molecular weight of 326.36 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 155302703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).