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

C14H20FN3O2 — CID 43658144

IUPAC3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N2CCCCC2CCO)c(F)c1
InChIInChI=1S/C14H20FN3O2/c15-12-9-10(14(16)17-20)4-5-13(12)18-7-2-1-3-11(18)6-8-19/h4-5,9,11,19-20H,1-3,6-8H2,(H2,16,17)
InChIKeyRKLYYCRPUVDUTA-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.66
Rot. Bonds4

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

3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide (PubChem CID 43658144) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
PubChem CID43658144
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N2CCCCC2CCO)c(F)c1
InChIInChI=1S/C14H20FN3O2/c15-12-9-10(14(16)17-20)4-5-13(12)18-7-2-1-3-11(18)6-8-19/h4-5,9,11,19-20H,1-3,6-8H2,(H2,16,17)
InChIKeyRKLYYCRPUVDUTA-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
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-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide (CID 43658144) is 3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide is N/C(=N\O)c1ccc(N2CCCCC2CCO)c(F)c1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide?
The InChIKey is RKLYYCRPUVDUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c15-12-9-10(14(16)17-20)4-5-13(12)18-7-2-1-3-11(18)6-8-19/h4-5,9,11,19-20H,1-3,6-8H2,(H2,16,17).
What are the key properties of 3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide has a molecular weight of 281.33 g/mol, XLogP of 1.66, 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-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 43658144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).