5-fluoro-N'-hydroxy-2-[2-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide

C13H18FN3O2 — CID 77004335

IUPAC5-fluoro-N'-hydroxy-2-[2-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1N1CCCCC1CO
InChIInChI=1S/C13H18FN3O2/c14-9-4-5-12(11(7-9)13(15)16-19)17-6-2-1-3-10(17)8-18/h4-5,7,10,18-19H,1-3,6,8H2,(H2,15,16)
InChIKeyUJYKIRULJUWIJY-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.27
Rot. Bonds3

About 5-fluoro-N'-hydroxy-2-[2-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide

5-fluoro-N'-hydroxy-2-[2-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide (PubChem CID 77004335) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-[2-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-[2-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
PubChem CID77004335
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name5-fluoro-N'-hydroxy-2-[2-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1N1CCCCC1CO
InChIInChI=1S/C13H18FN3O2/c14-9-4-5-12(11(7-9)13(15)16-19)17-6-2-1-3-10(17)8-18/h4-5,7,10,18-19H,1-3,6,8H2,(H2,15,16)
InChIKeyUJYKIRULJUWIJY-UHFFFAOYSA-N
XLogP1.27
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
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 5-fluoro-N'-hydroxy-2-[2-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-[2-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide (CID 77004335) is 5-fluoro-N'-hydroxy-2-[2-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-[2-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-[2-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide is NC(=NO)c1cc(F)ccc1N1CCCCC1CO.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-[2-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide?
The InChIKey is UJYKIRULJUWIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c14-9-4-5-12(11(7-9)13(15)16-19)17-6-2-1-3-10(17)8-18/h4-5,7,10,18-19H,1-3,6,8H2,(H2,15,16).
What are the key properties of 5-fluoro-N'-hydroxy-2-[2-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-[2-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide has a molecular weight of 267.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-hydroxy-2-[2-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 77004335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).