3-fluoro-N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide

C14H20FN3O2 — CID 76899898

IUPAC3-fluoro-N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
SMILESNC(=NO)c1ccc(CN2CCCCC2CO)c(F)c1
InChIInChI=1S/C14H20FN3O2/c15-13-7-10(14(16)17-20)4-5-11(13)8-18-6-2-1-3-12(18)9-19/h4-5,7,12,19-20H,1-3,6,8-9H2,(H2,16,17)
InChIKeyADCZBERFKVHBGG-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.27
Rot. Bonds4

About 3-fluoro-N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide

3-fluoro-N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide (PubChem CID 76899898) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
PubChem CID76899898
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name3-fluoro-N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
SMILESNC(=NO)c1ccc(CN2CCCCC2CO)c(F)c1
InChIInChI=1S/C14H20FN3O2/c15-13-7-10(14(16)17-20)4-5-11(13)8-18-6-2-1-3-12(18)9-19/h4-5,7,12,19-20H,1-3,6,8-9H2,(H2,16,17)
InChIKeyADCZBERFKVHBGG-UHFFFAOYSA-N
XLogP1.27
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.27
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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide (CID 76899898) is 3-fluoro-N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide is NC(=NO)c1ccc(CN2CCCCC2CO)c(F)c1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
The InChIKey is ADCZBERFKVHBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c15-13-7-10(14(16)17-20)4-5-11(13)8-18-6-2-1-3-12(18)9-19/h4-5,7,12,19-20H,1-3,6,8-9H2,(H2,16,17).
What are the key properties of 3-fluoro-N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide has a molecular weight of 281.33 g/mol, XLogP of 1.27, 4 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-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide is sourced from PubChem (CID 76899898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).