5-tert-butyl-2-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine

C17H27FN2O — CID 64947856

IUPAC5-tert-butyl-2-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine
SMILESCCC1CNC(C(C)(C)C)CN1c1ccc(F)cc1OC
InChIInChI=1S/C17H27FN2O/c1-6-13-10-19-16(17(2,3)4)11-20(13)14-8-7-12(18)9-15(14)21-5/h7-9,13,16,19H,6,10-11H2,1-5H3
InChIKeyDZIFMOOBPXPRAS-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.44
Rot. Bonds3

About 5-tert-butyl-2-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine

5-tert-butyl-2-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine (PubChem CID 64947856) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine
PubChem CID64947856
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name5-tert-butyl-2-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine
SMILESCCC1CNC(C(C)(C)C)CN1c1ccc(F)cc1OC
InChIInChI=1S/C17H27FN2O/c1-6-13-10-19-16(17(2,3)4)11-20(13)14-8-7-12(18)9-15(14)21-5/h7-9,13,16,19H,6,10-11H2,1-5H3
InChIKeyDZIFMOOBPXPRAS-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(4-fluoro-2-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64945930
5-tert-butyl-2-ethyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64941928
5-tert-butyl-1-(2-chloro-5-methoxyphenyl)-2-ethylpiperazine
CID 64947479
5-tert-butyl-2-ethyl-1-[2-(methoxymethyl)phenyl]piperazine
CID 64948188
5-tert-butyl-2-ethyl-1-(3,4,5-trifluorophenyl)piperazine
CID 64940572
5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine
CID 107646420
5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine
CID 64931164
5-tert-butyl-1-(2-chloro-5-methylphenyl)-2-ethylpiperazine
CID 107639962
5-tert-butyl-2-ethyl-1-phenylpiperazine
CID 64932615
5-tert-butyl-1-(2,6-difluoro-3-methylphenyl)-2-ethylpiperazine
CID 82802883
1-(2-bromo-4-fluorophenyl)-5-tert-butyl-2-methylpiperazine
CID 64934142
2-ethyl-1-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64932153

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine?
The IUPAC name of 5-tert-butyl-2-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine (CID 64947856) is 5-tert-butyl-2-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine?
The canonical SMILES for 5-tert-butyl-2-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine is CCC1CNC(C(C)(C)C)CN1c1ccc(F)cc1OC.
What is the InChIKey of 5-tert-butyl-2-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine?
The InChIKey is DZIFMOOBPXPRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-6-13-10-19-16(17(2,3)4)11-20(13)14-8-7-12(18)9-15(14)21-5/h7-9,13,16,19H,6,10-11H2,1-5H3.
What are the key properties of 5-tert-butyl-2-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine?
5-tert-butyl-2-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine has a molecular weight of 294.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine is sourced from PubChem (CID 64947856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).