[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanol

C11H14F3N3O — CID 66467987

IUPAC[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanol
SMILESOCc1cncc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)8-2-1-3-17(6-8)10-5-15-4-9(7-18)16-10/h4-5,8,18H,1-3,6-7H2
InChIKeyMMEDXHZMANNOPG-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.75
Rot. Bonds2

About [6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanol

[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanol (PubChem CID 66467987) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is [6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanol
PubChem CID66467987
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanol
SMILESOCc1cncc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)8-2-1-3-17(6-8)10-5-15-4-9(7-18)16-10/h4-5,8,18H,1-3,6-7H2
InChIKeyMMEDXHZMANNOPG-UHFFFAOYSA-N
XLogP1.75
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Methylpyrazin-2-yl)piperidin-4-ol
CID 66868496
(1S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol
CID 99855106
[5-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanol
CID 164642334
1-[5-(Trifluoromethyl)pyrazin-2-yl]piperidin-3-ol
CID 71226442
[5-(6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-methylpyrazin-2-yl]methanol
CID 156826040
1-[6-(2,2,2-Trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carbonitrile
CID 168974864
[5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-3-methylpyrazin-2-yl]methanol
CID 170224843
[5-(3,3-Difluoroazetidin-1-yl)-6-methylpyrazin-2-yl]methanol
CID 170542783
[6-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanol
CID 170973352
[(4R,5S)-1-ethyl-4,5-dihydroxypiperidin-3-yl]methylidene-methyl-[6-(trifluoromethyl)pyrazin-2-yl]azanium
CID 171558130
4-[3-(Hydroxymethyl)-5-(trifluoromethyl)pyrazin-2-yl]piperazine-1-carboxylic acid
CID 175598195
[6-(8,8-Difluoro-6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazin-2-yl]methanol
CID 178073006

Frequently Asked Questions

What is the IUPAC name of [6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanol?
The IUPAC name of [6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanol (CID 66467987) is [6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanol.
What is the SMILES notation for [6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanol?
The canonical SMILES for [6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanol is OCc1cncc(N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of [6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanol?
The InChIKey is MMEDXHZMANNOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)8-2-1-3-17(6-8)10-5-15-4-9(7-18)16-10/h4-5,8,18H,1-3,6-7H2.
What are the key properties of [6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanol?
[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanol has a molecular weight of 261.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanol is sourced from PubChem (CID 66467987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).