1-(3,4-dihydroxypiperidin-1-yl)-2-methylbutan-1-one;6-(trifluoromethyl)pyrazin-2-amine

C15H23F3N4O3 — CID 178007692

IUPAC1-(3,4-dihydroxypiperidin-1-yl)-2-methylbutan-1-one;6-(trifluoromethyl)pyrazin-2-amine
SMILESCCC(C)C(=O)N1CCC(O)C(O)C1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C10H19NO3.C5H4F3N3/c1-3-7(2)10(14)11-5-4-8(12)9(13)6-11;6-5(7,8)3-1-10-2-4(9)11-3/h7-9,12-13H,3-6H2,1-2H3;1-2H,(H2,9,11)
InChIKeyZDXFKYBCMUDGEN-UHFFFAOYSA-N
MW364.37 g/mol
LogP1.06
Rot. Bonds2

About 1-(3,4-dihydroxypiperidin-1-yl)-2-methylbutan-1-one;6-(trifluoromethyl)pyrazin-2-amine

1-(3,4-dihydroxypiperidin-1-yl)-2-methylbutan-1-one;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 178007692) has the molecular formula C15H23F3N4O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-(3,4-dihydroxypiperidin-1-yl)-2-methylbutan-1-one;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydroxypiperidin-1-yl)-2-methylbutan-1-one;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID178007692
Molecular FormulaC15H23F3N4O3
Molecular Weight364.37 g/mol
Exact Mass364.17
IUPAC Name1-(3,4-dihydroxypiperidin-1-yl)-2-methylbutan-1-one;6-(trifluoromethyl)pyrazin-2-amine
SMILESCCC(C)C(=O)N1CCC(O)C(O)C1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C10H19NO3.C5H4F3N3/c1-3-7(2)10(14)11-5-4-8(12)9(13)6-11;6-5(7,8)3-1-10-2-4(9)11-3/h7-9,12-13H,3-6H2,1-2H3;1-2H,(H2,9,11)
InChIKeyZDXFKYBCMUDGEN-UHFFFAOYSA-N
XLogP1.06
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dihydroxypiperidin-1-yl)-(4-phenylphenyl)methanone;ethane;6-(trifluoromethyl)pyrazin-2-amine
CID 178007758
1-(3,4-dihydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 118217486
6-propan-2-yl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 178008570
(6-aminopyrazin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 114036117
3-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 106668494
4-[(3,4-dihydroxyoxan-2-yl)methylcarbamoylamino]benzoic acid;6-(trifluoromethyl)pyrazin-2-amine
CID 171557366
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 119484156
(2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 104940920
1-(aziridin-1-yl)-2-methylbutan-1-one
CID 131176339
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 120604600
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310265
1-[3-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119517575

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxypiperidin-1-yl)-2-methylbutan-1-one;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 1-(3,4-dihydroxypiperidin-1-yl)-2-methylbutan-1-one;6-(trifluoromethyl)pyrazin-2-amine (CID 178007692) is 1-(3,4-dihydroxypiperidin-1-yl)-2-methylbutan-1-one;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 1-(3,4-dihydroxypiperidin-1-yl)-2-methylbutan-1-one;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 1-(3,4-dihydroxypiperidin-1-yl)-2-methylbutan-1-one;6-(trifluoromethyl)pyrazin-2-amine is CCC(C)C(=O)N1CCC(O)C(O)C1.Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of 1-(3,4-dihydroxypiperidin-1-yl)-2-methylbutan-1-one;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is ZDXFKYBCMUDGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.C5H4F3N3/c1-3-7(2)10(14)11-5-4-8(12)9(13)6-11;6-5(7,8)3-1-10-2-4(9)11-3/h7-9,12-13H,3-6H2,1-2H3;1-2H,(H2,9,11).
What are the key properties of 1-(3,4-dihydroxypiperidin-1-yl)-2-methylbutan-1-one;6-(trifluoromethyl)pyrazin-2-amine?
1-(3,4-dihydroxypiperidin-1-yl)-2-methylbutan-1-one;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 364.37 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydroxypiperidin-1-yl)-2-methylbutan-1-one;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 178007692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).