ethyl 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carboxylate

C13H16F3N3O2 — CID 170716480

IUPACethyl 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cnc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C13H16F3N3O2/c1-2-21-12(20)9-3-5-19(6-4-9)11-8-17-10(7-18-11)13(14,15)16/h7-9H,2-6H2,1H3
InChIKeyJWOMTAYTWDXRJQ-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.27
Rot. Bonds3

About ethyl 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carboxylate

ethyl 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carboxylate (PubChem CID 170716480) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is ethyl 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carboxylate
PubChem CID170716480
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Nameethyl 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cnc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C13H16F3N3O2/c1-2-21-12(20)9-3-5-19(6-4-9)11-8-17-10(7-18-11)13(14,15)16/h7-9H,2-6H2,1H3
InChIKeyJWOMTAYTWDXRJQ-UHFFFAOYSA-N
XLogP2.27
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1-(pyrazin-2-yl)piperidine-4-carboxylate
CID 2867731
1-(6-Methylpyrazin-2-yl)piperidine-4-carbaldehyde
CID 18525897
(1S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol
CID 99855106
(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carbaldehyde
CID 142966294
Ethyl 4-fluoro-1-(5-formylpyrazin-2-yl)piperidine-4-carboxylate
CID 156150748
Ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate
CID 163390352
Methyl 1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-4-carboxylate
CID 165400978
Ethyl 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168974756
Ethyl 1-[6-(3,3-difluorobutyl)-5-iodopyrazin-2-yl]piperidine-4-carboxylate
CID 168974765
Ethyl 1-[5-methyl-6-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168974782
Ethyl 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168974828
Ethyl 1-[5-chloro-6-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168974847

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carboxylate (CID 170716480) is ethyl 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cnc(C(F)(F)F)cn2)CC1.
What is the InChIKey of ethyl 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carboxylate?
The InChIKey is JWOMTAYTWDXRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-2-21-12(20)9-3-5-19(6-4-9)11-8-17-10(7-18-11)13(14,15)16/h7-9H,2-6H2,1H3.
What are the key properties of ethyl 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carboxylate?
ethyl 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carboxylate has a molecular weight of 303.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 170716480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).