2-fluoro-N'-hydroxy-3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide

C16H24FN3O — CID 107117498

IUPAC2-fluoro-N'-hydroxy-3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide
SMILESCC1CC(C)C(C)N(Cc2cccc(/C(N)=N/O)c2F)C1
InChIInChI=1S/C16H24FN3O/c1-10-7-11(2)12(3)20(8-10)9-13-5-4-6-14(15(13)17)16(18)19-21/h4-6,10-12,21H,7-9H2,1-3H3,(H2,18,19)
InChIKeyIPFAOYOKUOLHPZ-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.79
Rot. Bonds3

About 2-fluoro-N'-hydroxy-3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide

2-fluoro-N'-hydroxy-3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide (PubChem CID 107117498) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide
PubChem CID107117498
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name2-fluoro-N'-hydroxy-3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide
SMILESCC1CC(C)C(C)N(Cc2cccc(/C(N)=N/O)c2F)C1
InChIInChI=1S/C16H24FN3O/c1-10-7-11(2)12(3)20(8-10)9-13-5-4-6-14(15(13)17)16(18)19-21/h4-6,10-12,21H,7-9H2,1-3H3,(H2,18,19)
InChIKeyIPFAOYOKUOLHPZ-UHFFFAOYSA-N
XLogP2.79
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-fluoro-3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzonitrile
CID 103275030
2-fluoro-N'-hydroxy-3-[(4-hydroxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 107116369
2-fluoro-N'-hydroxy-3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]benzenecarboximidamide
CID 107116609
2-fluoro-N'-hydroxy-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 107117406
2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide
CID 107116628
2-fluoro-N'-hydroxy-3-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 107117521
3-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117316
2-fluoro-N'-hydroxy-3-[(3-methylcyclohexyl)sulfanylmethyl]benzenecarboximidamide
CID 107118398
4-fluoro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol
CID 103275846
3-[(3-ethoxypiperidin-1-yl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116507
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117227
3-[(2,2-dimethylhydrazinyl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117354

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-hydroxy-3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide (CID 107117498) is 2-fluoro-N'-hydroxy-3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide is CC1CC(C)C(C)N(Cc2cccc(/C(N)=N/O)c2F)C1.
What is the InChIKey of 2-fluoro-N'-hydroxy-3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide?
The InChIKey is IPFAOYOKUOLHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-10-7-11(2)12(3)20(8-10)9-13-5-4-6-14(15(13)17)16(18)19-21/h4-6,10-12,21H,7-9H2,1-3H3,(H2,18,19).
What are the key properties of 2-fluoro-N'-hydroxy-3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide?
2-fluoro-N'-hydroxy-3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide has a molecular weight of 293.39 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 107117498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).