(3S,4S,5S)-1-(methylamino)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol

C11H15F3N4O3 — CID 178008252

IUPAC(3S,4S,5S)-1-(methylamino)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol
SMILESCNN1C[C@H](Oc2cncc(C(F)(F)F)n2)[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C11H15F3N4O3/c1-15-18-4-6(19)10(20)7(5-18)21-9-3-16-2-8(17-9)11(12,13)14/h2-3,6-7,10,15,19-20H,4-5H2,1H3/t6-,7-,10-/m0/s1
InChIKeyHSTKUJAHZMAUMR-BYULHYEWSA-N
MW308.26 g/mol
LogP-0.59
Rot. Bonds3

About (3S,4S,5S)-1-(methylamino)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol

(3S,4S,5S)-1-(methylamino)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol (PubChem CID 178008252) has the molecular formula C11H15F3N4O3 and a molecular weight of 308.26 g/mol. Its IUPAC name is (3S,4S,5S)-1-(methylamino)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S,5S)-1-(methylamino)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol
PubChem CID178008252
Molecular FormulaC11H15F3N4O3
Molecular Weight308.26 g/mol
Exact Mass308.11
IUPAC Name(3S,4S,5S)-1-(methylamino)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol
SMILESCNN1C[C@H](Oc2cncc(C(F)(F)F)n2)[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C11H15F3N4O3/c1-15-18-4-6(19)10(20)7(5-18)21-9-3-16-2-8(17-9)11(12,13)14/h2-3,6-7,10,15,19-20H,4-5H2,1H3/t6-,7-,10-/m0/s1
InChIKeyHSTKUJAHZMAUMR-BYULHYEWSA-N
XLogP-0.59
TPSA90.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3S,4S,5S)-1-(methylamino)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S,5S)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol
CID 171557144
(3S,4S,5S)-1-propan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol
CID 171557903
(3S,4S,5S)-5-[6-(1,1-difluoroethyl)pyrazin-2-yl]oxypiperidine-3,4-diol
CID 171558092
(3S,4S)-1-(methylamino)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol
CID 178007712

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-1-(methylamino)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol?
The IUPAC name of (3S,4S,5S)-1-(methylamino)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol (CID 178008252) is (3S,4S,5S)-1-(methylamino)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol.
What is the SMILES notation for (3S,4S,5S)-1-(methylamino)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol?
The canonical SMILES for (3S,4S,5S)-1-(methylamino)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol is CNN1C[C@H](Oc2cncc(C(F)(F)F)n2)[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3S,4S,5S)-1-(methylamino)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol?
The InChIKey is HSTKUJAHZMAUMR-BYULHYEWSA-N. The full InChI is InChI=1S/C11H15F3N4O3/c1-15-18-4-6(19)10(20)7(5-18)21-9-3-16-2-8(17-9)11(12,13)14/h2-3,6-7,10,15,19-20H,4-5H2,1H3/t6-,7-,10-/m0/s1.
What are the key properties of (3S,4S,5S)-1-(methylamino)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol?
(3S,4S,5S)-1-(methylamino)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol has a molecular weight of 308.26 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-1-(methylamino)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxypiperidine-3,4-diol is sourced from PubChem (CID 178008252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).