ethyl 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate

C16H22F3N3O3 — CID 168974756

IUPACethyl 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cnc(C)c(COCC(F)(F)F)n2)CC1
InChIInChI=1S/C16H22F3N3O3/c1-3-25-15(23)12-4-6-22(7-5-12)14-8-20-11(2)13(21-14)9-24-10-16(17,18)19/h8,12H,3-7,9-10H2,1-2H3
InChIKeyZSDHCGJIMLSTGP-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.64
Rot. Bonds6

About ethyl 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate

ethyl 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate (PubChem CID 168974756) has the molecular formula C16H22F3N3O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is ethyl 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate
PubChem CID168974756
Molecular FormulaC16H22F3N3O3
Molecular Weight361.36 g/mol
Exact Mass361.16
IUPAC Nameethyl 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cnc(C)c(COCC(F)(F)F)n2)CC1
InChIInChI=1S/C16H22F3N3O3/c1-3-25-15(23)12-4-6-22(7-5-12)14-8-20-11(2)13(21-14)9-24-10-16(17,18)19/h8,12H,3-7,9-10H2,1-2H3
InChIKeyZSDHCGJIMLSTGP-UHFFFAOYSA-N
XLogP2.64
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 1-[3-chloro-5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168974795
Ethyl 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168974828
Ethyl 1-[3-chloro-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168974866
Ethyl 1-[5-iodo-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168975164
Ethyl 1-[5-chloro-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168975305
1-[6-(2,2,2-Trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carbaldehyde
CID 170000716
Ethyl 1-[5-(trifluoromethyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 170716480
Methyl 5-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine-2-carboxylate
CID 178088269
Methyl 6-[4-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylate
CID 66449182
Methyl 5-[4-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylate
CID 108255614
Ethyl 1-(6-methylpyrazin-2-yl)piperidine-4-carboxylate
CID 18525900
Ethane;ethyl 1-(6-methylpyrazin-2-yl)piperidine-4-carboxylate
CID 168975253

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate (CID 168974756) is ethyl 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cnc(C)c(COCC(F)(F)F)n2)CC1.
What is the InChIKey of ethyl 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate?
The InChIKey is ZSDHCGJIMLSTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3/c1-3-25-15(23)12-4-6-22(7-5-12)14-8-20-11(2)13(21-14)9-24-10-16(17,18)19/h8,12H,3-7,9-10H2,1-2H3.
What are the key properties of ethyl 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate?
ethyl 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate has a molecular weight of 361.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-methyl-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 168974756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).