4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide

C14H20FN3O — CID 61421396

IUPAC4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCN(c2ccc(C(N)=NO)cc2F)CC1
InChIInChI=1S/C14H20FN3O/c1-2-10-5-7-18(8-6-10)13-4-3-11(9-12(13)15)14(16)17-19/h3-4,9-10,19H,2,5-8H2,1H3,(H2,16,17)
InChIKeyLKOXWMJZRQXZEO-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.55
Rot. Bonds3

About 4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide

4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 61421396) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID61421396
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCN(c2ccc(C(N)=NO)cc2F)CC1
InChIInChI=1S/C14H20FN3O/c1-2-10-5-7-18(8-6-10)13-4-3-11(9-12(13)15)14(16)17-19/h3-4,9-10,19H,2,5-8H2,1H3,(H2,16,17)
InChIKeyLKOXWMJZRQXZEO-UHFFFAOYSA-N
XLogP2.55
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-bromo-4-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82799600
3-fluoro-N'-hydroxy-4-(4-propan-2-ylazepan-1-yl)benzenecarboximidamide
CID 77024723
3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide
CID 43658117
3-fluoro-N'-hydroxy-4-(3-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 61226785
4-[(4-ethylpiperidin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 76903859
3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide
CID 43658121
4-(4-ethylazepan-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81286775
3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide
CID 88870309
4-(3-ethylpyrrolidin-1-yl)-3-fluorobenzenecarbothioamide
CID 113417510
5-chloro-2-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76944687
3-fluoro-N'-hydroxy-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 76948985
3-fluoro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide
CID 76910257

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 61421396) is 4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide is CCC1CCN(c2ccc(C(N)=NO)cc2F)CC1.
What is the InChIKey of 4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is LKOXWMJZRQXZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-2-10-5-7-18(8-6-10)13-4-3-11(9-12(13)15)14(16)17-19/h3-4,9-10,19H,2,5-8H2,1H3,(H2,16,17).
What are the key properties of 4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 265.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 61421396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).