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

C19H20FN3O2 — CID 783601

IUPAC1-(2-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine
SMILESO=[N+]([O-])c1ccccc1/C=C/CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H20FN3O2/c20-17-8-2-4-10-19(17)22-14-12-21(13-15-22)11-5-7-16-6-1-3-9-18(16)23(24)25/h1-10H,11-15H2/b7-5+
InChIKeyXAHSMVJSIPDKOG-FNORWQNLSA-N
MW341.39 g/mol
LogP3.57
Rot. Bonds5

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

1-(2-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine (PubChem CID 783601) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine
PubChem CID783601
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-(2-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine
SMILESO=[N+]([O-])c1ccccc1/C=C/CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H20FN3O2/c20-17-8-2-4-10-19(17)22-14-12-21(13-15-22)11-5-7-16-6-1-3-9-18(16)23(24)25/h1-10H,11-15H2/b7-5+
InChIKeyXAHSMVJSIPDKOG-FNORWQNLSA-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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Related Compounds

1,4-Dimethylamino-4-nitrostilbene
CID 5377793
1-(4-Nitro-2-(trifluoromethyl)phenyl)-4-(3-(trifluoromethyl)phenyl)piperazine
CID 50925412
Piperazine, 1-phenethyl-4-phenyl-
CID 120540
1-Benzyl-N-(2-nitrophenyl)piperidin-4-amine
CID 81675
1-Benzyl-4-phenylpiperazine
CID 511484
1-Phenyl-4-(3-phenylpropyl)piperazine
CID 743379
(4-Benzyl-piperazin-1-yl)-(2-nitro-benzylidene)-amine
CID 5342883
1-Phenyl-4-(4-phenyl-butyl)-piperazine
CID 15723883
2-Methyl-1,4-bis[2-(4-nitrophenyl)ethyl]piperazine
CID 60509567
1-(4-Fluorophenyl)-4-(4-nitrophenyl)piperazine
CID 2765094
1-(Cyclohexylmethyl)-4-(4-nitrophenyl)piperazine
CID 2845860
Mls001183678
CID 4011831

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine (CID 783601) is 1-(2-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine is O=[N+]([O-])c1ccccc1/C=C/CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine?
The InChIKey is XAHSMVJSIPDKOG-FNORWQNLSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-17-8-2-4-10-19(17)22-14-12-21(13-15-22)11-5-7-16-6-1-3-9-18(16)23(24)25/h1-10H,11-15H2/b7-5+.
What are the key properties of 1-(2-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine?
1-(2-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-(2-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine is sourced from PubChem (CID 783601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).