3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide

C12H17FN4O — CID 43658121

IUPAC3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide
SMILESCN1CCN(c2ccc(/C(N)=N/O)cc2F)CC1
InChIInChI=1S/C12H17FN4O/c1-16-4-6-17(7-5-16)11-3-2-9(8-10(11)13)12(14)15-18/h2-3,8,18H,4-7H2,1H3,(H2,14,15)
InChIKeyAPYNEXDNKXLGEL-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.67
Rot. Bonds2

About 3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide

3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide (PubChem CID 43658121) has the molecular formula C12H17FN4O and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide
PubChem CID43658121
Molecular FormulaC12H17FN4O
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC Name3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide
SMILESCN1CCN(c2ccc(/C(N)=N/O)cc2F)CC1
InChIInChI=1S/C12H17FN4O/c1-16-4-6-17(7-5-16)11-3-2-9(8-10(11)13)12(14)15-18/h2-3,8,18H,4-7H2,1H3,(H2,14,15)
InChIKeyAPYNEXDNKXLGEL-UHFFFAOYSA-N
XLogP0.67
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.67
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 3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide 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

3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide
CID 43658117
3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide
CID 88870309
4-(3,4-dimethylpiperazin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77000724
3-fluoro-N'-hydroxy-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 76948985
4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 61421396
3-fluoro-N'-hydroxy-4-(3-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 61226785
N'-hydroxy-4-(4-methylpiperazin-1-yl)-3-nitrobenzenecarboximidamide
CID 76935346
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658127
3-fluoro-N'-hydroxy-4-(4-propan-2-ylazepan-1-yl)benzenecarboximidamide
CID 77024723
4-(2,6-dimethylthiomorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77020685
3-fluoro-N'-hydroxy-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 77135914
5-fluoro-N'-hydroxy-2-(4-methyl-1,4-diazepan-1-yl)benzenecarboximidamide
CID 55234100

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide (CID 43658121) is 3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide is CN1CCN(c2ccc(/C(N)=N/O)cc2F)CC1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide?
The InChIKey is APYNEXDNKXLGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O/c1-16-4-6-17(7-5-16)11-3-2-9(8-10(11)13)12(14)15-18/h2-3,8,18H,4-7H2,1H3,(H2,14,15).
What are the key properties of 3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide has a molecular weight of 252.29 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 43658121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).