ethane;ethyl 1-[6-(4,4-difluorobutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate

C19H31F2N3O2 — CID 168974985

IUPACethane;ethyl 1-[6-(4,4-difluorobutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate
SMILESCC.CCOC(=O)C1CCN(c2cnc(C)c(CCCC(F)F)n2)CC1
InChIInChI=1S/C17H25F2N3O2.C2H6/c1-3-24-17(23)13-7-9-22(10-8-13)16-11-20-12(2)14(21-16)5-4-6-15(18)19;1-2/h11,13,15H,3-10H2,1-2H3;1-2H3
InChIKeyFVBXVGHKKYQATD-UHFFFAOYSA-N
MW371.47 g/mol
LogP4.18
Rot. Bonds7

About ethane;ethyl 1-[6-(4,4-difluorobutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate

ethane;ethyl 1-[6-(4,4-difluorobutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate (PubChem CID 168974985) has the molecular formula C19H31F2N3O2 and a molecular weight of 371.47 g/mol. Its IUPAC name is ethane;ethyl 1-[6-(4,4-difluorobutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 1-[6-(4,4-difluorobutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate
PubChem CID168974985
Molecular FormulaC19H31F2N3O2
Molecular Weight371.47 g/mol
Exact Mass371.24
IUPAC Nameethane;ethyl 1-[6-(4,4-difluorobutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate
SMILESCC.CCOC(=O)C1CCN(c2cnc(C)c(CCCC(F)F)n2)CC1
InChIInChI=1S/C17H25F2N3O2.C2H6/c1-3-24-17(23)13-7-9-22(10-8-13)16-11-20-12(2)14(21-16)5-4-6-15(18)19;1-2/h11,13,15H,3-10H2,1-2H3;1-2H3
InChIKeyFVBXVGHKKYQATD-UHFFFAOYSA-N
XLogP4.18
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;ethyl 1-[6-(4-methoxybutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate
CID 168974968
ethyl 1-[5-iodo-6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168975164
ethyl 1-[6-(4-hydroxybutyl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168974910
ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
CID 143917578
ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate
CID 9124455
ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 66334132
ethyl 1-(5-chloro-6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 170716467
ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate
CID 66656004
ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate
CID 115612188
ethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate
CID 170891147
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819
ethyl 1-[5-(2-aminobutyl)-2-pyridinyl]piperidine-4-carboxylate
CID 170888915

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 1-[6-(4,4-difluorobutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethane;ethyl 1-[6-(4,4-difluorobutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate (CID 168974985) is ethane;ethyl 1-[6-(4,4-difluorobutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethane;ethyl 1-[6-(4,4-difluorobutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethane;ethyl 1-[6-(4,4-difluorobutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate is CC.CCOC(=O)C1CCN(c2cnc(C)c(CCCC(F)F)n2)CC1.
What is the InChIKey of ethane;ethyl 1-[6-(4,4-difluorobutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate?
The InChIKey is FVBXVGHKKYQATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O2.C2H6/c1-3-24-17(23)13-7-9-22(10-8-13)16-11-20-12(2)14(21-16)5-4-6-15(18)19;1-2/h11,13,15H,3-10H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl 1-[6-(4,4-difluorobutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate?
ethane;ethyl 1-[6-(4,4-difluorobutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate has a molecular weight of 371.47 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 1-[6-(4,4-difluorobutyl)-5-methylpyrazin-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 168974985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).