5-fluoro-N'-hydroxy-2-(4-hydroxypiperidin-1-yl)benzenecarboximidamide

C12H16FN3O2 — CID 77004494

IUPAC5-fluoro-N'-hydroxy-2-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C12H16FN3O2/c13-8-1-2-11(10(7-8)12(14)15-18)16-5-3-9(17)4-6-16/h1-2,7,9,17-18H,3-6H2,(H2,14,15)
InChIKeyVIEVAJYNYYVFSM-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.88
Rot. Bonds2

About 5-fluoro-N'-hydroxy-2-(4-hydroxypiperidin-1-yl)benzenecarboximidamide

5-fluoro-N'-hydroxy-2-(4-hydroxypiperidin-1-yl)benzenecarboximidamide (PubChem CID 77004494) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-(4-hydroxypiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
PubChem CID77004494
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name5-fluoro-N'-hydroxy-2-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C12H16FN3O2/c13-8-1-2-11(10(7-8)12(14)15-18)16-5-3-9(17)4-6-16/h1-2,7,9,17-18H,3-6H2,(H2,14,15)
InChIKeyVIEVAJYNYYVFSM-UHFFFAOYSA-N
XLogP0.88
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.88
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-(4-hydroxypiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-(4-hydroxypiperidin-1-yl)benzenecarboximidamide (CID 77004494) is 5-fluoro-N'-hydroxy-2-(4-hydroxypiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-(4-hydroxypiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-(4-hydroxypiperidin-1-yl)benzenecarboximidamide is NC(=NO)c1cc(F)ccc1N1CCC(O)CC1.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-(4-hydroxypiperidin-1-yl)benzenecarboximidamide?
The InChIKey is VIEVAJYNYYVFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c13-8-1-2-11(10(7-8)12(14)15-18)16-5-3-9(17)4-6-16/h1-2,7,9,17-18H,3-6H2,(H2,14,15).
What are the key properties of 5-fluoro-N'-hydroxy-2-(4-hydroxypiperidin-1-yl)benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-(4-hydroxypiperidin-1-yl)benzenecarboximidamide has a molecular weight of 253.28 g/mol, XLogP of 0.88, 2 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-(4-hydroxypiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 77004494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).