2-(hydroxymethyl)-1-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

C14H23F3N4O3 — CID 171556563

IUPAC2-(hydroxymethyl)-1-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC(C)N1CCC(O)C(O)C1CO.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C9H19NO3.C5H4F3N3/c1-6(2)10-4-3-8(12)9(13)7(10)5-11;6-5(7,8)3-1-10-2-4(9)11-3/h6-9,11-13H,3-5H2,1-2H3;1-2H,(H2,9,11)
InChIKeyBYAMLLUSOKZGPG-UHFFFAOYSA-N
MW352.36 g/mol
LogP0.26
Rot. Bonds2

About 2-(hydroxymethyl)-1-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

2-(hydroxymethyl)-1-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171556563) has the molecular formula C14H23F3N4O3 and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171556563
Molecular FormulaC14H23F3N4O3
Molecular Weight352.36 g/mol
Exact Mass352.17
IUPAC Name2-(hydroxymethyl)-1-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC(C)N1CCC(O)C(O)C1CO.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C9H19NO3.C5H4F3N3/c1-6(2)10-4-3-8(12)9(13)7(10)5-11;6-5(7,8)3-1-10-2-4(9)11-3/h6-9,11-13H,3-5H2,1-2H3;1-2H,(H2,9,11)
InChIKeyBYAMLLUSOKZGPG-UHFFFAOYSA-N
XLogP0.26
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221665
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167408590
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]formamide
CID 167221338
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221498
(2R,3R,4R,5S)-2-(piperidin-1-ylmethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221554
(2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221555
(2R,3R,4R,5S)-2-(methylaminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221558
(2R,3R,4R,5S)-2-[(dimethylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221691
(2R,3R,4R,5S)-2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221736
(2R,3R,4R,5S)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221754
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221767
(2R,3R,4R,5S)-2-(azidomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221823

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 2-(hydroxymethyl)-1-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (CID 171556563) is 2-(hydroxymethyl)-1-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 2-(hydroxymethyl)-1-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 2-(hydroxymethyl)-1-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is CC(C)N1CCC(O)C(O)C1CO.Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of 2-(hydroxymethyl)-1-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is BYAMLLUSOKZGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3.C5H4F3N3/c1-6(2)10-4-3-8(12)9(13)7(10)5-11;6-5(7,8)3-1-10-2-4(9)11-3/h6-9,11-13H,3-5H2,1-2H3;1-2H,(H2,9,11).
What are the key properties of 2-(hydroxymethyl)-1-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
2-(hydroxymethyl)-1-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 352.36 g/mol, XLogP of 0.26, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171556563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).