5-ethynyl-2-piperidin-1-yl-3-(trifluoromethyl)pyrazine

C12H12F3N3 — CID 141412665

IUPAC5-ethynyl-2-piperidin-1-yl-3-(trifluoromethyl)pyrazine
SMILESC#Cc1cnc(N2CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C12H12F3N3/c1-2-9-8-16-11(10(17-9)12(13,14)15)18-6-4-3-5-7-18/h1,8H,3-7H2
InChIKeyMUXXUAFTTYETEO-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.47
Rot. Bonds1

About 5-ethynyl-2-piperidin-1-yl-3-(trifluoromethyl)pyrazine

5-ethynyl-2-piperidin-1-yl-3-(trifluoromethyl)pyrazine (PubChem CID 141412665) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 5-ethynyl-2-piperidin-1-yl-3-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name5-ethynyl-2-piperidin-1-yl-3-(trifluoromethyl)pyrazine
PubChem CID141412665
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name5-ethynyl-2-piperidin-1-yl-3-(trifluoromethyl)pyrazine
SMILESC#Cc1cnc(N2CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C12H12F3N3/c1-2-9-8-16-11(10(17-9)12(13,14)15)18-6-4-3-5-7-18/h1,8H,3-7H2
InChIKeyMUXXUAFTTYETEO-UHFFFAOYSA-N
XLogP2.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Modaline
CID 17860
Pyrazine, 2-methyl-3-piperidino-, monohydrochloride
CID 83550
N,N-dimethyl-N'-[5-(trifluoromethyl)pyrazin-2-yl]methanimidamide
CID 164682790
N,N-dimethyl-N'-[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide
CID 164683015
2-Methyl-6-piperidin-1-ylpyrazine
CID 68348554
2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine
CID 125143380
3-[[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]amino]pyrazine-2-carbonitrile
CID 164640687
2-Piperazin-1-yl-6-(trifluoromethyl)pyrazine
CID 20290696
2-Piperazin-1-yl-6-(trifluoromethyl)pyrazine;hydrochloride
CID 20361695
2-(Piperazin-1-yl)-5-(trifluoromethyl)pyrazine
CID 46837492
2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrazine
CID 70812423
2-[(2S)-2,4-dimethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine
CID 70812915

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-2-piperidin-1-yl-3-(trifluoromethyl)pyrazine?
The IUPAC name of 5-ethynyl-2-piperidin-1-yl-3-(trifluoromethyl)pyrazine (CID 141412665) is 5-ethynyl-2-piperidin-1-yl-3-(trifluoromethyl)pyrazine.
What is the SMILES notation for 5-ethynyl-2-piperidin-1-yl-3-(trifluoromethyl)pyrazine?
The canonical SMILES for 5-ethynyl-2-piperidin-1-yl-3-(trifluoromethyl)pyrazine is C#Cc1cnc(N2CCCCC2)c(C(F)(F)F)n1.
What is the InChIKey of 5-ethynyl-2-piperidin-1-yl-3-(trifluoromethyl)pyrazine?
The InChIKey is MUXXUAFTTYETEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-2-9-8-16-11(10(17-9)12(13,14)15)18-6-4-3-5-7-18/h1,8H,3-7H2.
What are the key properties of 5-ethynyl-2-piperidin-1-yl-3-(trifluoromethyl)pyrazine?
5-ethynyl-2-piperidin-1-yl-3-(trifluoromethyl)pyrazine has a molecular weight of 255.24 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-2-piperidin-1-yl-3-(trifluoromethyl)pyrazine is sourced from PubChem (CID 141412665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).