(2,6-difluoro-4-propoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate

C17H24F2N2O3 — CID 11244792

IUPAC(2,6-difluoro-4-propoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate
SMILESCCCOc1cc(F)c(COC(=O)N2CCNCC2CC)c(F)c1
InChIInChI=1S/C17H24F2N2O3/c1-3-7-23-13-8-15(18)14(16(19)9-13)11-24-17(22)21-6-5-20-10-12(21)4-2/h8-9,12,20H,3-7,10-11H2,1-2H3
InChIKeyIGPZYHBIPPKGFI-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.07
Rot. Bonds6

About (2,6-difluoro-4-propoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate

(2,6-difluoro-4-propoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate (PubChem CID 11244792) has the molecular formula C17H24F2N2O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is (2,6-difluoro-4-propoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(2,6-difluoro-4-propoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate
PubChem CID11244792
Molecular FormulaC17H24F2N2O3
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Name(2,6-difluoro-4-propoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate
SMILESCCCOc1cc(F)c(COC(=O)N2CCNCC2CC)c(F)c1
InChIInChI=1S/C17H24F2N2O3/c1-3-7-23-13-8-15(18)14(16(19)9-13)11-24-17(22)21-6-5-20-10-12(21)4-2/h8-9,12,20H,3-7,10-11H2,1-2H3
InChIKeyIGPZYHBIPPKGFI-UHFFFAOYSA-N
XLogP3.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-propoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate?
The IUPAC name of (2,6-difluoro-4-propoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate (CID 11244792) is (2,6-difluoro-4-propoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate.
What is the SMILES notation for (2,6-difluoro-4-propoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate?
The canonical SMILES for (2,6-difluoro-4-propoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate is CCCOc1cc(F)c(COC(=O)N2CCNCC2CC)c(F)c1.
What is the InChIKey of (2,6-difluoro-4-propoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate?
The InChIKey is IGPZYHBIPPKGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3/c1-3-7-23-13-8-15(18)14(16(19)9-13)11-24-17(22)21-6-5-20-10-12(21)4-2/h8-9,12,20H,3-7,10-11H2,1-2H3.
What are the key properties of (2,6-difluoro-4-propoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate?
(2,6-difluoro-4-propoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate has a molecular weight of 342.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-4-propoxyphenyl)methyl 2-ethylpiperazine-1-carboxylate is sourced from PubChem (CID 11244792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).