(2S,3S,4R,5S)-2-(fluoromethyl)-1-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol

C14H20F4N4O2 — CID 171557112

IUPAC(2S,3S,4R,5S)-2-(fluoromethyl)-1-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
SMILESCC(C)N1C[C@H](Nc2cncc(C(F)(F)F)n2)[C@@H](O)[C@@H](O)[C@H]1CF
InChIInChI=1S/C14H20F4N4O2/c1-7(2)22-6-8(12(23)13(24)9(22)3-15)20-11-5-19-4-10(21-11)14(16,17)18/h4-5,7-9,12-13,23-24H,3,6H2,1-2H3,(H,20,21)/t8-,9+,12+,13-/m0/s1
InChIKeyRGVCIYBZOWSVDP-ZFWZSOMGSA-N
MW352.33 g/mol
LogP1.06
Rot. Bonds4

About (2S,3S,4R,5S)-2-(fluoromethyl)-1-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol

(2S,3S,4R,5S)-2-(fluoromethyl)-1-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol (PubChem CID 171557112) has the molecular formula C14H20F4N4O2 and a molecular weight of 352.33 g/mol. Its IUPAC name is (2S,3S,4R,5S)-2-(fluoromethyl)-1-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4R,5S)-2-(fluoromethyl)-1-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
PubChem CID171557112
Molecular FormulaC14H20F4N4O2
Molecular Weight352.33 g/mol
Exact Mass352.15
IUPAC Name(2S,3S,4R,5S)-2-(fluoromethyl)-1-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
SMILESCC(C)N1C[C@H](Nc2cncc(C(F)(F)F)n2)[C@@H](O)[C@@H](O)[C@H]1CF
InChIInChI=1S/C14H20F4N4O2/c1-7(2)22-6-8(12(23)13(24)9(22)3-15)20-11-5-19-4-10(21-11)14(16,17)18/h4-5,7-9,12-13,23-24H,3,6H2,1-2H3,(H,20,21)/t8-,9+,12+,13-/m0/s1
InChIKeyRGVCIYBZOWSVDP-ZFWZSOMGSA-N
XLogP1.06
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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
1-[5-(Trifluoromethyl)pyrazin-2-yl]piperidin-3-ol
CID 71226442
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

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-2-(fluoromethyl)-1-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol?
The IUPAC name of (2S,3S,4R,5S)-2-(fluoromethyl)-1-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol (CID 171557112) is (2S,3S,4R,5S)-2-(fluoromethyl)-1-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol.
What is the SMILES notation for (2S,3S,4R,5S)-2-(fluoromethyl)-1-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol?
The canonical SMILES for (2S,3S,4R,5S)-2-(fluoromethyl)-1-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol is CC(C)N1C[C@H](Nc2cncc(C(F)(F)F)n2)[C@@H](O)[C@@H](O)[C@H]1CF.
What is the InChIKey of (2S,3S,4R,5S)-2-(fluoromethyl)-1-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol?
The InChIKey is RGVCIYBZOWSVDP-ZFWZSOMGSA-N. The full InChI is InChI=1S/C14H20F4N4O2/c1-7(2)22-6-8(12(23)13(24)9(22)3-15)20-11-5-19-4-10(21-11)14(16,17)18/h4-5,7-9,12-13,23-24H,3,6H2,1-2H3,(H,20,21)/t8-,9+,12+,13-/m0/s1.
What are the key properties of (2S,3S,4R,5S)-2-(fluoromethyl)-1-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol?
(2S,3S,4R,5S)-2-(fluoromethyl)-1-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol has a molecular weight of 352.33 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-2-(fluoromethyl)-1-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol is sourced from PubChem (CID 171557112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).