3-fluoro-N'-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide

C14H20FN3O — CID 24693205

IUPAC3-fluoro-N'-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide
SMILESCC1CCCN(Cc2ccc(/C(N)=N/O)cc2F)C1
InChIInChI=1S/C14H20FN3O/c1-10-3-2-6-18(8-10)9-12-5-4-11(7-13(12)15)14(16)17-19/h4-5,7,10,19H,2-3,6,8-9H2,1H3,(H2,16,17)
InChIKeyQUYJJETXIIUBQX-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.15
Rot. Bonds3

About 3-fluoro-N'-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide

3-fluoro-N'-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide (PubChem CID 24693205) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide
PubChem CID24693205
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name3-fluoro-N'-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide
SMILESCC1CCCN(Cc2ccc(/C(N)=N/O)cc2F)C1
InChIInChI=1S/C14H20FN3O/c1-10-3-2-6-18(8-10)9-12-5-4-11(7-13(12)15)14(16)17-19/h4-5,7,10,19H,2-3,6,8-9H2,1H3,(H2,16,17)
InChIKeyQUYJJETXIIUBQX-UHFFFAOYSA-N
XLogP2.15
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.15
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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide (CID 24693205) is 3-fluoro-N'-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide is CC1CCCN(Cc2ccc(/C(N)=N/O)cc2F)C1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide?
The InChIKey is QUYJJETXIIUBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-10-3-2-6-18(8-10)9-12-5-4-11(7-13(12)15)14(16)17-19/h4-5,7,10,19H,2-3,6,8-9H2,1H3,(H2,16,17).
What are the key properties of 3-fluoro-N'-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide has a molecular weight of 265.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 24693205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).