3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide

C11H15FN4O — CID 88870309

IUPAC3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C11H15FN4O/c12-9-7-8(11(13)15-17)1-2-10(9)16-5-3-14-4-6-16/h1-2,7,14,17H,3-6H2,(H2,13,15)
InChIKeyBKLMUFIOLMIVEL-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.33
Rot. Bonds2

About 3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide

3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide (PubChem CID 88870309) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide
PubChem CID88870309
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC Name3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C11H15FN4O/c12-9-7-8(11(13)15-17)1-2-10(9)16-5-3-14-4-6-16/h1-2,7,14,17H,3-6H2,(H2,13,15)
InChIKeyBKLMUFIOLMIVEL-UHFFFAOYSA-N
XLogP0.33
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.33
H-Bond Donors ≤ 53
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'}

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Related Compounds

3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide
CID 43658117
3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide
CID 43658121
4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 61421396
3-fluoro-N'-hydroxy-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 76948985
3-fluoro-N'-hydroxy-4-(3-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 61226785
3-fluoro-N'-hydroxy-4-(4-propan-2-ylazepan-1-yl)benzenecarboximidamide
CID 77024723
3-fluoro-N'-hydroxy-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 77135914
4-(2,6-dimethylthiomorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77020685
4-(3,4-dimethylpiperazin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77000724
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658127
1-(4-chloro-2-fluorophenyl)piperazine
CID 2783123
(3-fluoro-4-piperazin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 59295895

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide (CID 88870309) is 3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide is N/C(=N\O)c1ccc(N2CCNCC2)c(F)c1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide?
The InChIKey is BKLMUFIOLMIVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O/c12-9-7-8(11(13)15-17)1-2-10(9)16-5-3-14-4-6-16/h1-2,7,14,17H,3-6H2,(H2,13,15).
What are the key properties of 3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide?
3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide has a molecular weight of 238.27 g/mol, XLogP of 0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide is sourced from PubChem (CID 88870309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).