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

C14H25F3N2O2 — CID 155302776

IUPAC(2R,3R,4R)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4-diol
SMILESC[C@@H]1[C@@H](O)[C@H](O)CCN1CC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O2/c1-10-13(21)12(20)4-7-19(10)8-11-2-5-18(6-3-11)9-14(15,16)17/h10-13,20-21H,2-9H2,1H3/t10-,12-,13-/m1/s1
InChIKeyFYYMIOAKDDUMNH-RAIGVLPGSA-N
MW310.36 g/mol
LogP1.08
Rot. Bonds3

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

(2R,3R,4R)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4-diol (PubChem CID 155302776) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (2R,3R,4R)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4-diol
PubChem CID155302776
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name(2R,3R,4R)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4-diol
SMILESC[C@@H]1[C@@H](O)[C@H](O)CCN1CC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O2/c1-10-13(21)12(20)4-7-19(10)8-11-2-5-18(6-3-11)9-14(15,16)17/h10-13,20-21H,2-9H2,1H3/t10-,12-,13-/m1/s1
InChIKeyFYYMIOAKDDUMNH-RAIGVLPGSA-N
XLogP1.08
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3R,4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol
CID 51356490
1-Tert-butyl-4-(trifluoromethyl)piperidine-3,4-diol
CID 57643163
1-Propan-2-yl-4-(trifluoromethyl)piperidine-3,4-diol
CID 60046717
Butyl-5-(difluoromethyl)piperidine 3,4-diol
CID 75631375
6-(Difluoromethyl)-1-propylpiperidine-3,4-diol
CID 124006826
(3R,4R)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol
CID 134386637
(3R,4R,5S)-5-(difluoromethyl)-1-propylpiperidine-3,4-diol
CID 151560079
(4R,5S)-1-butyl-5-(difluoromethyl)piperidine-3,4-diol
CID 153064791
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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4-diol?
The IUPAC name of (2R,3R,4R)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4-diol (CID 155302776) is (2R,3R,4R)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4-diol?
The canonical SMILES for (2R,3R,4R)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4-diol is C[C@@H]1[C@@H](O)[C@H](O)CCN1CC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of (2R,3R,4R)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4-diol?
The InChIKey is FYYMIOAKDDUMNH-RAIGVLPGSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-10-13(21)12(20)4-7-19(10)8-11-2-5-18(6-3-11)9-14(15,16)17/h10-13,20-21H,2-9H2,1H3/t10-,12-,13-/m1/s1.
What are the key properties of (2R,3R,4R)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4-diol?
(2R,3R,4R)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4-diol has a molecular weight of 310.36 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-3,4-diol is sourced from PubChem (CID 155302776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).