6-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

C15H22F6N4O2 — CID 178007659

IUPAC6-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC(C)C1CC(O)C(O)CN1CC(F)(F)F.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C10H18F3NO2.C5H4F3N3/c1-6(2)7-3-8(15)9(16)4-14(7)5-10(11,12)13;6-5(7,8)3-1-10-2-4(9)11-3/h6-9,15-16H,3-5H2,1-2H3;1-2H,(H2,9,11)
InChIKeyRDNCPTKHVYNKSE-UHFFFAOYSA-N
MW404.36 g/mol
LogP2.08
Rot. Bonds2

About 6-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

6-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 178007659) has the molecular formula C15H22F6N4O2 and a molecular weight of 404.36 g/mol. Its IUPAC name is 6-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID178007659
Molecular FormulaC15H22F6N4O2
Molecular Weight404.36 g/mol
Exact Mass404.16
IUPAC Name6-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC(C)C1CC(O)C(O)CN1CC(F)(F)F.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C10H18F3NO2.C5H4F3N3/c1-6(2)7-3-8(15)9(16)4-14(7)5-10(11,12)13;6-5(7,8)3-1-10-2-4(9)11-3/h6-9,15-16H,3-5H2,1-2H3;1-2H,(H2,9,11)
InChIKeyRDNCPTKHVYNKSE-UHFFFAOYSA-N
XLogP2.08
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.36
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine with MolForge

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Related Compounds

(2R,3R,4R,5S)-2-[(dimethylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221691
(2R,3R,4R)-2-(methylaminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 167222175
(2R,3R,4R)-2-[(dimethylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 167222182
6-Cyclobutyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol
CID 167491654
(2R,3R,4R)-2-[(propan-2-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 169581991
2-(Hydroxymethyl)-1-propan-2-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 171556563
2-(Azocan-1-ylmethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 171556894
(3S,4R,5S)-1-(2,2,2-trifluoroethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
CID 171557102
(2S,3S,4R,5S)-2-(fluoromethyl)-1-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
CID 171557112
(3S,4R,5S)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
CID 171557158
1-Methylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 171557179
(2R,3R,4R,5R)-2-methyl-6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 171557284

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 6-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (CID 178007659) is 6-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 6-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 6-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is CC(C)C1CC(O)C(O)CN1CC(F)(F)F.Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of 6-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is RDNCPTKHVYNKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2.C5H4F3N3/c1-6(2)7-3-8(15)9(16)4-14(7)5-10(11,12)13;6-5(7,8)3-1-10-2-4(9)11-3/h6-9,15-16H,3-5H2,1-2H3;1-2H,(H2,9,11).
What are the key properties of 6-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
6-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 404.36 g/mol, XLogP of 2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 178007659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).