1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-pyridin-4-ylpiperazine

C18H20FN3 — CID 120910630

IUPAC1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-pyridin-4-ylpiperazine
SMILESFc1ccc(/C=C/CN2CCNCC2c2ccncc2)cc1
InChIInChI=1S/C18H20FN3/c19-17-5-3-15(4-6-17)2-1-12-22-13-11-21-14-18(22)16-7-9-20-10-8-16/h1-10,18,21H,11-14H2/b2-1+
InChIKeyODIJPCAHTSELFZ-OWOJBTEDSA-N
MW297.38 g/mol
LogP2.88
Rot. Bonds4

About 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-pyridin-4-ylpiperazine

1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-pyridin-4-ylpiperazine (PubChem CID 120910630) has the molecular formula C18H20FN3 and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-pyridin-4-ylpiperazine
PubChem CID120910630
Molecular FormulaC18H20FN3
Molecular Weight297.38 g/mol
Exact Mass297.16
IUPAC Name1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-pyridin-4-ylpiperazine
SMILESFc1ccc(/C=C/CN2CCNCC2c2ccncc2)cc1
InChIInChI=1S/C18H20FN3/c19-17-5-3-15(4-6-17)2-1-12-22-13-11-21-14-18(22)16-7-9-20-10-8-16/h1-10,18,21H,11-14H2/b2-1+
InChIKeyODIJPCAHTSELFZ-OWOJBTEDSA-N
XLogP2.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-pyridin-4-ylpiperazine?
The IUPAC name of 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-pyridin-4-ylpiperazine (CID 120910630) is 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-pyridin-4-ylpiperazine?
The canonical SMILES for 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-pyridin-4-ylpiperazine is Fc1ccc(/C=C/CN2CCNCC2c2ccncc2)cc1.
What is the InChIKey of 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-pyridin-4-ylpiperazine?
The InChIKey is ODIJPCAHTSELFZ-OWOJBTEDSA-N. The full InChI is InChI=1S/C18H20FN3/c19-17-5-3-15(4-6-17)2-1-12-22-13-11-21-14-18(22)16-7-9-20-10-8-16/h1-10,18,21H,11-14H2/b2-1+.
What are the key properties of 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-pyridin-4-ylpiperazine?
1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-pyridin-4-ylpiperazine has a molecular weight of 297.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-pyridin-4-ylpiperazine is sourced from PubChem (CID 120910630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).