2-fluoro-N'-hydroxy-6-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide

C14H21FN4O — CID 79519529

IUPAC2-fluoro-N'-hydroxy-6-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide
SMILESCN1CCN(c2cccc(F)c2C(N)=NO)CC1(C)C
InChIInChI=1S/C14H21FN4O/c1-14(2)9-19(8-7-18(14)3)11-6-4-5-10(15)12(11)13(16)17-20/h4-6,20H,7-9H2,1-3H3,(H2,16,17)
InChIKeyJIVNYHPLVXECAZ-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.45
Rot. Bonds2

About 2-fluoro-N'-hydroxy-6-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide

2-fluoro-N'-hydroxy-6-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide (PubChem CID 79519529) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-6-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-6-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide
PubChem CID79519529
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name2-fluoro-N'-hydroxy-6-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide
SMILESCN1CCN(c2cccc(F)c2C(N)=NO)CC1(C)C
InChIInChI=1S/C14H21FN4O/c1-14(2)9-19(8-7-18(14)3)11-6-4-5-10(15)12(11)13(16)17-20/h4-6,20H,7-9H2,1-3H3,(H2,16,17)
InChIKeyJIVNYHPLVXECAZ-UHFFFAOYSA-N
XLogP1.45
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.45
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'}

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Related Compounds

N'-hydroxy-2-piperidinobenzenecarboximidamide
CID 9581944
Cetoxime
CID 9570370
2-(4-benzylpiperidino)-N'-hydroxybenzenecarboximidamide
CID 5871993
N'-hydroxy-4-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]piperazin-1-yl]benzenecarboximidamide;dihydrochloride
CID 45265950
1-[2-(4-Ethylpiperazin-1-yl)-5-fluorophenyl]ethan-1-amine
CID 43188891
N'-hydroxy-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)ethanimidamide
CID 90674289
2,6-difluoro-N'-hydroxy-3-[methyl(nonyl)amino]benzenecarboximidamide
CID 155564423
N-hydroxy-4-[4-[4-(N-hydroxycarbamimidoyl)phenyl]piperazin-1-yl]benzamidine
CID 9567524
4-(Diethylamino)-N'-hydroxybenzimidamide
CID 43188163
1-[5-Fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethan-1-amine
CID 43188731
1-(4-Fluoro-2-methylphenyl)piperidin-3-amine
CID 54594111
2-(azepan-1-yl)-N-hydroxy-N'-methylbenzenecarboximidamide
CID 15665421

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-hydroxy-6-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-6-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide (CID 79519529) is 2-fluoro-N'-hydroxy-6-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-6-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-6-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide is CN1CCN(c2cccc(F)c2C(N)=NO)CC1(C)C.
What is the InChIKey of 2-fluoro-N'-hydroxy-6-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide?
The InChIKey is JIVNYHPLVXECAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-14(2)9-19(8-7-18(14)3)11-6-4-5-10(15)12(11)13(16)17-20/h4-6,20H,7-9H2,1-3H3,(H2,16,17).
What are the key properties of 2-fluoro-N'-hydroxy-6-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide?
2-fluoro-N'-hydroxy-6-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide has a molecular weight of 280.35 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-6-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 79519529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).