3-fluoro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide

C15H22FN3O2 — CID 76910257

IUPAC3-fluoro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide
SMILESCCCOC1CCCN(c2ccc(C(N)=NO)cc2F)C1
InChIInChI=1S/C15H22FN3O2/c1-2-8-21-12-4-3-7-19(10-12)14-6-5-11(9-13(14)16)15(17)18-20/h5-6,9,12,20H,2-4,7-8,10H2,1H3,(H2,17,18)
InChIKeyCZZKQEULIANENS-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.32
Rot. Bonds5

About 3-fluoro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide

3-fluoro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide (PubChem CID 76910257) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide
PubChem CID76910257
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name3-fluoro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide
SMILESCCCOC1CCCN(c2ccc(C(N)=NO)cc2F)C1
InChIInChI=1S/C15H22FN3O2/c1-2-8-21-12-4-3-7-19(10-12)14-6-5-11(9-13(14)16)15(17)18-20/h5-6,9,12,20H,2-4,7-8,10H2,1H3,(H2,17,18)
InChIKeyCZZKQEULIANENS-UHFFFAOYSA-N
XLogP2.32
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
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-(3-propoxypiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide (CID 76910257) is 3-fluoro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide is CCCOC1CCCN(c2ccc(C(N)=NO)cc2F)C1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide?
The InChIKey is CZZKQEULIANENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-2-8-21-12-4-3-7-19(10-12)14-6-5-11(9-13(14)16)15(17)18-20/h5-6,9,12,20H,2-4,7-8,10H2,1H3,(H2,17,18).
What are the key properties of 3-fluoro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide has a molecular weight of 295.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 76910257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).