ethane;1-propylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

C15H27F3N4O2 — CID 171558800

IUPACethane;1-propylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC.CCCN1CCC(O)C(O)C1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C8H17NO2.C5H4F3N3.C2H6/c1-2-4-9-5-3-7(10)8(11)6-9;6-5(7,8)3-1-10-2-4(9)11-3;1-2/h7-8,10-11H,2-6H2,1H3;1-2H,(H2,9,11);1-2H3
InChIKeyPPHXPUXRFSLHPP-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.93
Rot. Bonds2

About ethane;1-propylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

ethane;1-propylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171558800) has the molecular formula C15H27F3N4O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is ethane;1-propylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Nameethane;1-propylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171558800
Molecular FormulaC15H27F3N4O2
Molecular Weight352.40 g/mol
Exact Mass352.21
IUPAC Nameethane;1-propylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC.CCCN1CCC(O)C(O)C1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C8H17NO2.C5H4F3N3.C2H6/c1-2-4-9-5-3-7(10)8(11)6-9;6-5(7,8)3-1-10-2-4(9)11-3;1-2/h7-8,10-11H,2-6H2,1H3;1-2H,(H2,9,11);1-2H3
InChIKeyPPHXPUXRFSLHPP-UHFFFAOYSA-N
XLogP1.93
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4R,5S)-2-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 171399995
(3S,4R,5S)-1-(2,2,2-trifluoroethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
CID 171557102
(3S,4R,5S)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
CID 171557158
(3S,4R,5S)-1-ethyl-5-[methyl-[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
CID 171557404
1-[(3S,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]ethanone
CID 171557813
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
CID 171557837
(3S,4R,5S)-5-[methyl-[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
CID 171558110
(3S,4R,5S)-1-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
CID 171558153
(2R,3R,4R,5S)-2-(piperazin-1-ylmethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 171558892
(1S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol
CID 99855106
1-[5-(Trifluoromethyl)pyrazin-2-yl]piperidin-3-ol
CID 71226442
(2R,3R,4R,5S)-2-(piperidin-1-ylmethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221554

Frequently Asked Questions

What is the IUPAC name of ethane;1-propylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of ethane;1-propylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (CID 171558800) is ethane;1-propylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for ethane;1-propylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for ethane;1-propylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is CC.CCCN1CCC(O)C(O)C1.Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of ethane;1-propylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is PPHXPUXRFSLHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C5H4F3N3.C2H6/c1-2-4-9-5-3-7(10)8(11)6-9;6-5(7,8)3-1-10-2-4(9)11-3;1-2/h7-8,10-11H,2-6H2,1H3;1-2H,(H2,9,11);1-2H3.
What are the key properties of ethane;1-propylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
ethane;1-propylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 352.40 g/mol, XLogP of 1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171558800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).