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

C11H17F3N4O2 — CID 171557179

IUPAC1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCN1CCC(O)C(O)C1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C6H13NO2.C5H4F3N3/c1-7-3-2-5(8)6(9)4-7;6-5(7,8)3-1-10-2-4(9)11-3/h5-6,8-9H,2-4H2,1H3;1-2H,(H2,9,11)
InChIKeyXYDMRLJWUNCITO-UHFFFAOYSA-N
MW294.28 g/mol
LogP0.12
Rot. Bonds

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

1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171557179) has the molecular formula C11H17F3N4O2 and a molecular weight of 294.28 g/mol. Its IUPAC name is 1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171557179
Molecular FormulaC11H17F3N4O2
Molecular Weight294.28 g/mol
Exact Mass294.13
IUPAC Name1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCN1CCC(O)C(O)C1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C6H13NO2.C5H4F3N3/c1-7-3-2-5(8)6(9)4-7;6-5(7,8)3-1-10-2-4(9)11-3/h5-6,8-9H,2-4H2,1H3;1-2H,(H2,9,11)
InChIKeyXYDMRLJWUNCITO-UHFFFAOYSA-N
XLogP0.12
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(2R,3R,4R,5S)-2-(methylaminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221558
(2R,3R,4R,5S)-2-[(dimethylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221691
(2R,3R,4R,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221841
(2R,3R,4R,5S)-2-[(4-methylpiperazin-1-yl)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221991
(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
(2R,3R,4R,5S)-2-(propylaminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167448081
(2R,3R,4R)-2-[(propan-2-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 169581991
(2R,3R,4R,5S)-2-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 171399995

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (CID 171557179) is 1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is CN1CCC(O)C(O)C1.Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of 1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is XYDMRLJWUNCITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C5H4F3N3/c1-7-3-2-5(8)6(9)4-7;6-5(7,8)3-1-10-2-4(9)11-3/h5-6,8-9H,2-4H2,1H3;1-2H,(H2,9,11).
What are the key properties of 1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 294.28 g/mol, XLogP of 0.12, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171557179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).