2-ethyl-1-(4-fluoro-2-methoxyphenyl)-5-(2-methylpropyl)piperazine

C17H27FN2O — CID 64945930

IUPAC2-ethyl-1-(4-fluoro-2-methoxyphenyl)-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1c1ccc(F)cc1OC
InChIInChI=1S/C17H27FN2O/c1-5-15-10-19-14(8-12(2)3)11-20(15)16-7-6-13(18)9-17(16)21-4/h6-7,9,12,14-15,19H,5,8,10-11H2,1-4H3
InChIKeyICOVTEPKVRJUMS-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.44
Rot. Bonds5

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

2-ethyl-1-(4-fluoro-2-methoxyphenyl)-5-(2-methylpropyl)piperazine (PubChem CID 64945930) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 2-ethyl-1-(4-fluoro-2-methoxyphenyl)-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2-ethyl-1-(4-fluoro-2-methoxyphenyl)-5-(2-methylpropyl)piperazine
PubChem CID64945930
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name2-ethyl-1-(4-fluoro-2-methoxyphenyl)-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1c1ccc(F)cc1OC
InChIInChI=1S/C17H27FN2O/c1-5-15-10-19-14(8-12(2)3)11-20(15)16-7-6-13(18)9-17(16)21-4/h6-7,9,12,14-15,19H,5,8,10-11H2,1-4H3
InChIKeyICOVTEPKVRJUMS-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64932153
5-tert-butyl-2-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine
CID 64947856
2-ethyl-1-(2-fluoro-4-methylphenyl)-5-(2-methylpropyl)piperazine
CID 64934982
2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64930546
1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64930047
1-(5-chloro-2-methoxyphenyl)-2,5-diethylpiperazine
CID 64933713
1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64936226
2-ethyl-5-(2-methylpropyl)-1-(4-methyl-3-pyridinyl)piperazine
CID 64941203
1-(2-bromo-6-fluorophenyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 107603940
1-(2,6-dibromophenyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 107603860
1-(1,3-dimethylpyrazol-4-yl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 102807507
2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine
CID 64934538

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-fluoro-2-methoxyphenyl)-5-(2-methylpropyl)piperazine?
The IUPAC name of 2-ethyl-1-(4-fluoro-2-methoxyphenyl)-5-(2-methylpropyl)piperazine (CID 64945930) is 2-ethyl-1-(4-fluoro-2-methoxyphenyl)-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 2-ethyl-1-(4-fluoro-2-methoxyphenyl)-5-(2-methylpropyl)piperazine?
The canonical SMILES for 2-ethyl-1-(4-fluoro-2-methoxyphenyl)-5-(2-methylpropyl)piperazine is CCC1CNC(CC(C)C)CN1c1ccc(F)cc1OC.
What is the InChIKey of 2-ethyl-1-(4-fluoro-2-methoxyphenyl)-5-(2-methylpropyl)piperazine?
The InChIKey is ICOVTEPKVRJUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-5-15-10-19-14(8-12(2)3)11-20(15)16-7-6-13(18)9-17(16)21-4/h6-7,9,12,14-15,19H,5,8,10-11H2,1-4H3.
What are the key properties of 2-ethyl-1-(4-fluoro-2-methoxyphenyl)-5-(2-methylpropyl)piperazine?
2-ethyl-1-(4-fluoro-2-methoxyphenyl)-5-(2-methylpropyl)piperazine has a molecular weight of 294.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-fluoro-2-methoxyphenyl)-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64945930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).