1-[3-(4-fluorophenyl)prop-2-enyl]piperazine

C13H17FN2 — CID 54302754

IUPAC1-[3-(4-fluorophenyl)prop-2-enyl]piperazine
SMILESFc1ccc(C=CCN2CCNCC2)cc1
InChIInChI=1S/C13H17FN2/c14-13-5-3-12(4-6-13)2-1-9-16-10-7-15-8-11-16/h1-6,15H,7-11H2
InChIKeySFJSNIKVCXARIX-UHFFFAOYSA-N
MW220.29 g/mol
LogP1.74
Rot. Bonds3

About 1-[3-(4-fluorophenyl)prop-2-enyl]piperazine

1-[3-(4-fluorophenyl)prop-2-enyl]piperazine (PubChem CID 54302754) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)prop-2-enyl]piperazine
PubChem CID54302754
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name1-[3-(4-fluorophenyl)prop-2-enyl]piperazine
SMILESFc1ccc(C=CCN2CCNCC2)cc1
InChIInChI=1S/C13H17FN2/c14-13-5-3-12(4-6-13)2-1-9-16-10-7-15-8-11-16/h1-6,15H,7-11H2
InChIKeySFJSNIKVCXARIX-UHFFFAOYSA-N
XLogP1.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)prop-2-enyl]piperazine?
The IUPAC name of 1-[3-(4-fluorophenyl)prop-2-enyl]piperazine (CID 54302754) is 1-[3-(4-fluorophenyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-[3-(4-fluorophenyl)prop-2-enyl]piperazine is Fc1ccc(C=CCN2CCNCC2)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)prop-2-enyl]piperazine?
The InChIKey is SFJSNIKVCXARIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c14-13-5-3-12(4-6-13)2-1-9-16-10-7-15-8-11-16/h1-6,15H,7-11H2.
What are the key properties of 1-[3-(4-fluorophenyl)prop-2-enyl]piperazine?
1-[3-(4-fluorophenyl)prop-2-enyl]piperazine has a molecular weight of 220.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)prop-2-enyl]piperazine is sourced from PubChem (CID 54302754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).