1-(3-ethyl-5-fluorophenyl)piperazine

C12H17FN2 — CID 84780261

IUPAC1-(3-ethyl-5-fluorophenyl)piperazine
SMILESCCc1cc(F)cc(N2CCNCC2)c1
InChIInChI=1S/C12H17FN2/c1-2-10-7-11(13)9-12(8-10)15-5-3-14-4-6-15/h7-9,14H,2-6H2,1H3
InChIKeyZWNLIHAINSDLMU-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.80
Rot. Bonds2

About 1-(3-ethyl-5-fluorophenyl)piperazine

1-(3-ethyl-5-fluorophenyl)piperazine (PubChem CID 84780261) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(3-ethyl-5-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(3-ethyl-5-fluorophenyl)piperazine
PubChem CID84780261
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-(3-ethyl-5-fluorophenyl)piperazine
SMILESCCc1cc(F)cc(N2CCNCC2)c1
InChIInChI=1S/C12H17FN2/c1-2-10-7-11(13)9-12(8-10)15-5-3-14-4-6-15/h7-9,14H,2-6H2,1H3
InChIKeyZWNLIHAINSDLMU-UHFFFAOYSA-N
XLogP1.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-5-fluorophenyl)piperazine?
The IUPAC name of 1-(3-ethyl-5-fluorophenyl)piperazine (CID 84780261) is 1-(3-ethyl-5-fluorophenyl)piperazine.
What is the SMILES notation for 1-(3-ethyl-5-fluorophenyl)piperazine?
The canonical SMILES for 1-(3-ethyl-5-fluorophenyl)piperazine is CCc1cc(F)cc(N2CCNCC2)c1.
What is the InChIKey of 1-(3-ethyl-5-fluorophenyl)piperazine?
The InChIKey is ZWNLIHAINSDLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-2-10-7-11(13)9-12(8-10)15-5-3-14-4-6-15/h7-9,14H,2-6H2,1H3.
What are the key properties of 1-(3-ethyl-5-fluorophenyl)piperazine?
1-(3-ethyl-5-fluorophenyl)piperazine has a molecular weight of 208.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-5-fluorophenyl)piperazine is sourced from PubChem (CID 84780261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).