2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide

C14H20FN3O2 — CID 77004290

IUPAC2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCOC1CCN(c2ccc(F)cc2C(N)=NO)CC1
InChIInChI=1S/C14H20FN3O2/c1-2-20-11-5-7-18(8-6-11)13-4-3-10(15)9-12(13)14(16)17-19/h3-4,9,11,19H,2,5-8H2,1H3,(H2,16,17)
InChIKeyCBCXEIYNJKWALF-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.93
Rot. Bonds4

About 2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide

2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 77004290) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID77004290
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCOC1CCN(c2ccc(F)cc2C(N)=NO)CC1
InChIInChI=1S/C14H20FN3O2/c1-2-20-11-5-7-18(8-6-11)13-4-3-10(15)9-12(13)14(16)17-19/h3-4,9,11,19H,2,5-8H2,1H3,(H2,16,17)
InChIKeyCBCXEIYNJKWALF-UHFFFAOYSA-N
XLogP1.93
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.93
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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Related Compounds

2-(4-ethoxypiperidin-1-yl)-5-fluoroaniline
CID 61220325
5-fluoro-N'-hydroxy-2-(4-methylazepan-1-yl)benzenecarboximidamide
CID 77004346
5-fluoro-N'-hydroxy-2-pyrrolidin-1-ylbenzenecarboximidamide
CID 77016942
2-(azocan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004264
5-fluoro-N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide
CID 77004386
[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]methanamine
CID 61216671
5-fluoro-N'-hydroxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 77004304
2-(4,4-dimethylazepan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77064459
5-fluoro-N'-hydroxy-2-(4-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide
CID 81097007
2-[1-(2-carbamoyl-4-fluorophenyl)piperidin-4-yl]oxyacetic acid
CID 63902966
5-fluoro-N'-hydroxy-2-(4-methyl-1,4-diazepan-1-yl)benzenecarboximidamide
CID 55234100
1-[2-(4-ethoxypiperidin-1-yl)-5-fluorophenyl]propan-2-amine
CID 63794163

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide (CID 77004290) is 2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide is CCOC1CCN(c2ccc(F)cc2C(N)=NO)CC1.
What is the InChIKey of 2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is CBCXEIYNJKWALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-2-20-11-5-7-18(8-6-11)13-4-3-10(15)9-12(13)14(16)17-19/h3-4,9,11,19H,2,5-8H2,1H3,(H2,16,17).
What are the key properties of 2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide?
2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 281.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77004290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).