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

C19H20FN3O2 — CID 782852

IUPAC1-(4-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine
SMILESO=[N+]([O-])c1ccccc1/C=C/CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FN3O2/c20-17-7-9-18(10-8-17)22-14-12-21(13-15-22)11-3-5-16-4-1-2-6-19(16)23(24)25/h1-10H,11-15H2/b5-3+
InChIKeyDLKZNSGJFAFTEJ-HWKANZROSA-N
MW341.39 g/mol
LogP3.57
Rot. Bonds5

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

1-(4-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine (PubChem CID 782852) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine
PubChem CID782852
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-(4-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine
SMILESO=[N+]([O-])c1ccccc1/C=C/CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FN3O2/c20-17-7-9-18(10-8-17)22-14-12-21(13-15-22)11-3-5-16-4-1-2-6-19(16)23(24)25/h1-10H,11-15H2/b5-3+
InChIKeyDLKZNSGJFAFTEJ-HWKANZROSA-N
XLogP3.57
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine (CID 782852) is 1-(4-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine is O=[N+]([O-])c1ccccc1/C=C/CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine?
The InChIKey is DLKZNSGJFAFTEJ-HWKANZROSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-17-7-9-18(10-8-17)22-14-12-21(13-15-22)11-3-5-16-4-1-2-6-19(16)23(24)25/h1-10H,11-15H2/b5-3+.
What are the key properties of 1-(4-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine?
1-(4-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine has a molecular weight of 341.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine is sourced from PubChem (CID 782852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).