1-(2-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine

C21H20FN3O3 — CID 1375710

IUPAC1-(2-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine
SMILESO=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3ccccc3F)CC2)o1
InChIInChI=1S/C21H20FN3O3/c22-18-6-2-4-8-20(18)24-13-11-23(12-14-24)15-16-9-10-21(28-16)17-5-1-3-7-19(17)25(26)27/h1-10H,11-15H2
InChIKeyZRHQOJNMMYEMSN-UHFFFAOYSA-N
MW381.41 g/mol
LogP4.32
Rot. Bonds5

About 1-(2-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine

1-(2-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine (PubChem CID 1375710) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine
PubChem CID1375710
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name1-(2-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine
SMILESO=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3ccccc3F)CC2)o1
InChIInChI=1S/C21H20FN3O3/c22-18-6-2-4-8-20(18)24-13-11-23(12-14-24)15-16-9-10-21(28-16)17-5-1-3-7-19(17)25(26)27/h1-10H,11-15H2
InChIKeyZRHQOJNMMYEMSN-UHFFFAOYSA-N
XLogP4.32
TPSA62.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine (CID 1375710) is 1-(2-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine is O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3ccccc3F)CC2)o1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine?
The InChIKey is ZRHQOJNMMYEMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c22-18-6-2-4-8-20(18)24-13-11-23(12-14-24)15-16-9-10-21(28-16)17-5-1-3-7-19(17)25(26)27/h1-10H,11-15H2.
What are the key properties of 1-(2-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine?
1-(2-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine has a molecular weight of 381.41 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine is sourced from PubChem (CID 1375710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).