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

C11H15F3N4O2 — CID 171558153

IUPAC(3S,4R,5S)-1-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
SMILESCN1C[C@H](Nc2cncc(C(F)(F)F)n2)[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C11H15F3N4O2/c1-18-4-6(10(20)7(19)5-18)16-9-3-15-2-8(17-9)11(12,13)14/h2-3,6-7,10,19-20H,4-5H2,1H3,(H,16,17)/t6-,7-,10+/m0/s1
InChIKeyCFHHNMSDDJAOBM-MHYGZLNHSA-N
MW292.26 g/mol
LogP-0.06
Rot. Bonds2

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

(3S,4R,5S)-1-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol (PubChem CID 171558153) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is (3S,4R,5S)-1-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R,5S)-1-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
PubChem CID171558153
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name(3S,4R,5S)-1-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
SMILESCN1C[C@H](Nc2cncc(C(F)(F)F)n2)[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C11H15F3N4O2/c1-18-4-6(10(20)7(19)5-18)16-9-3-15-2-8(17-9)11(12,13)14/h2-3,6-7,10,19-20H,4-5H2,1H3,(H,16,17)/t6-,7-,10+/m0/s1
InChIKeyCFHHNMSDDJAOBM-MHYGZLNHSA-N
XLogP-0.06
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-1-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol?
The IUPAC name of (3S,4R,5S)-1-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol (CID 171558153) is (3S,4R,5S)-1-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol.
What is the SMILES notation for (3S,4R,5S)-1-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol?
The canonical SMILES for (3S,4R,5S)-1-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol is CN1C[C@H](Nc2cncc(C(F)(F)F)n2)[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3S,4R,5S)-1-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol?
The InChIKey is CFHHNMSDDJAOBM-MHYGZLNHSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-18-4-6(10(20)7(19)5-18)16-9-3-15-2-8(17-9)11(12,13)14/h2-3,6-7,10,19-20H,4-5H2,1H3,(H,16,17)/t6-,7-,10+/m0/s1.
What are the key properties of (3S,4R,5S)-1-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol?
(3S,4R,5S)-1-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol has a molecular weight of 292.26 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-1-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol is sourced from PubChem (CID 171558153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).