4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide

C17H19FN4O — CID 24878688

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C17H19FN4O/c18-14-3-7-16(8-4-14)22-11-9-21(10-12-22)15-5-1-13(2-6-15)17(19)20-23/h1-8,23H,9-12H2,(H2,19,20)
InChIKeyXRDOSNPHEMAHJM-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.25
Rot. Bonds3

About 4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide

4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide (PubChem CID 24878688) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide
PubChem CID24878688
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C17H19FN4O/c18-14-3-7-16(8-4-14)22-11-9-21(10-12-22)15-5-1-13(2-6-15)17(19)20-23/h1-8,23H,9-12H2,(H2,19,20)
InChIKeyXRDOSNPHEMAHJM-UHFFFAOYSA-N
XLogP2.25
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-hydroxy-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
CID 43188193
4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride
CID 139714848
N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide
CID 76981328
N'-hydroxy-4-(2-oxoimidazolidin-1-yl)benzenecarboximidamide
CID 145340146
N'-hydroxy-4-(4-methylazepan-1-yl)benzenecarboximidamide
CID 77001998
N'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 55050027
3-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76925753
[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 9161600
1-(4-fluorophenyl)-4-sulfanylpiperazine
CID 123797629
N'-hydroxy-4-pyrrol-1-ylbenzenecarboximidamide
CID 4018661
N'-hydroxy-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide
CID 76986915
[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea
CID 46697484

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide (CID 24878688) is 4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is XRDOSNPHEMAHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-14-3-7-16(8-4-14)22-11-9-21(10-12-22)15-5-1-13(2-6-15)17(19)20-23/h1-8,23H,9-12H2,(H2,19,20).
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide?
4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 314.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 24878688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).