1-(3-chloro-4-fluorophenyl)-2-ethenylpiperazine

C12H14ClFN2 — CID 11593913

IUPAC1-(3-chloro-4-fluorophenyl)-2-ethenylpiperazine
SMILESC=CC1CNCCN1c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H14ClFN2/c1-2-9-8-15-5-6-16(9)10-3-4-12(14)11(13)7-10/h2-4,7,9,15H,1,5-6,8H2
InChIKeyWWQNVJUPRYJNNH-UHFFFAOYSA-N
MW240.71 g/mol
LogP2.44
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-2-ethenylpiperazine

1-(3-chloro-4-fluorophenyl)-2-ethenylpiperazine (PubChem CID 11593913) has the molecular formula C12H14ClFN2 and a molecular weight of 240.71 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-2-ethenylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-2-ethenylpiperazine
PubChem CID11593913
Molecular FormulaC12H14ClFN2
Molecular Weight240.71 g/mol
Exact Mass240.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-2-ethenylpiperazine
SMILESC=CC1CNCCN1c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H14ClFN2/c1-2-9-8-15-5-6-16(9)10-3-4-12(14)11(13)7-10/h2-4,7,9,15H,1,5-6,8H2
InChIKeyWWQNVJUPRYJNNH-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-ethenylpiperazine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-ethenylpiperazine (CID 11593913) is 1-(3-chloro-4-fluorophenyl)-2-ethenylpiperazine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-2-ethenylpiperazine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-2-ethenylpiperazine is C=CC1CNCCN1c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-2-ethenylpiperazine?
The InChIKey is WWQNVJUPRYJNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2/c1-2-9-8-15-5-6-16(9)10-3-4-12(14)11(13)7-10/h2-4,7,9,15H,1,5-6,8H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-2-ethenylpiperazine?
1-(3-chloro-4-fluorophenyl)-2-ethenylpiperazine has a molecular weight of 240.71 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-2-ethenylpiperazine is sourced from PubChem (CID 11593913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).