ethyl 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate

C15H20F3N3O3 — CID 168974828

IUPACethyl 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cncc(COCC(F)(F)F)n2)CC1
InChIInChI=1S/C15H20F3N3O3/c1-2-24-14(22)11-3-5-21(6-4-11)13-8-19-7-12(20-13)9-23-10-15(16,17)18/h7-8,11H,2-6,9-10H2,1H3
InChIKeyXDUDOCQLGYBGSV-UHFFFAOYSA-N
MW347.34 g/mol
LogP2.34
Rot. Bonds6

About ethyl 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate

ethyl 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate (PubChem CID 168974828) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is ethyl 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate
PubChem CID168974828
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Nameethyl 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cncc(COCC(F)(F)F)n2)CC1
InChIInChI=1S/C15H20F3N3O3/c1-2-24-14(22)11-3-5-21(6-4-11)13-8-19-7-12(20-13)9-23-10-15(16,17)18/h7-8,11H,2-6,9-10H2,1H3
InChIKeyXDUDOCQLGYBGSV-UHFFFAOYSA-N
XLogP2.34
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 6-(4,4-difluoro-3-methylpiperidin-1-yl)pyrazine-2-carboxylate
CID 167450642
Ethyl 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168974756
1-[6-(2,2,2-Trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carbonitrile
CID 168974864
Ethyl 1-[3-chloro-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168974866
Ethyl 1-[6-(4,4,4-trifluorobutyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168974905
Ethyl 1-[6-(5,5,5-trifluoropentyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168974933
Ethyl 1-[6-(3,3,3-trifluoropropyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168974935
Ethyl 1-[6-(4,4-difluorobutyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168975036
Ethyl 1-[3-chloro-5-iodo-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168975096
Ethyl 1-[6-(3,3-difluorobutyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168975152
Ethyl 1-[5-iodo-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168975164
Ethyl 1-[6-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168975279

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate (CID 168974828) is ethyl 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cncc(COCC(F)(F)F)n2)CC1.
What is the InChIKey of ethyl 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate?
The InChIKey is XDUDOCQLGYBGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-2-24-14(22)11-3-5-21(6-4-11)13-8-19-7-12(20-13)9-23-10-15(16,17)18/h7-8,11H,2-6,9-10H2,1H3.
What are the key properties of ethyl 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate?
ethyl 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate has a molecular weight of 347.34 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 168974828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).