3-[(3-ethoxypiperidin-1-yl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide

C15H22FN3O2 — CID 107116507

IUPAC3-[(3-ethoxypiperidin-1-yl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCOC1CCCN(Cc2cccc(/C(N)=N/O)c2F)C1
InChIInChI=1S/C15H22FN3O2/c1-2-21-12-6-4-8-19(10-12)9-11-5-3-7-13(14(11)16)15(17)18-20/h3,5,7,12,20H,2,4,6,8-10H2,1H3,(H2,17,18)
InChIKeyDJLDKGXSGGSTOL-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.92
Rot. Bonds5

About 3-[(3-ethoxypiperidin-1-yl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide

3-[(3-ethoxypiperidin-1-yl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 107116507) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-[(3-ethoxypiperidin-1-yl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[(3-ethoxypiperidin-1-yl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID107116507
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name3-[(3-ethoxypiperidin-1-yl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCOC1CCCN(Cc2cccc(/C(N)=N/O)c2F)C1
InChIInChI=1S/C15H22FN3O2/c1-2-21-12-6-4-8-19(10-12)9-11-5-3-7-13(14(11)16)15(17)18-20/h3,5,7,12,20H,2,4,6,8-10H2,1H3,(H2,17,18)
InChIKeyDJLDKGXSGGSTOL-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
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-fluoro-N'-hydroxy-3-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 107117521
2-fluoro-N'-hydroxy-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 107117406
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117227
2-fluoro-N'-hydroxy-3-[(4-hydroxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 107116369
2-amino-6-[(3-ethoxypiperidin-1-yl)methyl]benzoic acid
CID 104824515
N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 106587061
2-(3-ethoxypiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide
CID 54985539
2-fluoro-N'-hydroxy-3-[(3-methoxycyclohexyl)oxymethyl]benzenecarboximidamide
CID 107117665
2-fluoro-N'-hydroxy-3-[(2-pyrrolidin-1-ylethylamino)methyl]benzenecarboximidamide
CID 107116916
N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide
CID 82015571
2-fluoro-N'-hydroxy-3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 107117498
3-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117316

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxypiperidin-1-yl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[(3-ethoxypiperidin-1-yl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide (CID 107116507) is 3-[(3-ethoxypiperidin-1-yl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[(3-ethoxypiperidin-1-yl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[(3-ethoxypiperidin-1-yl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide is CCOC1CCCN(Cc2cccc(/C(N)=N/O)c2F)C1.
What is the InChIKey of 3-[(3-ethoxypiperidin-1-yl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is DJLDKGXSGGSTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-2-21-12-6-4-8-19(10-12)9-11-5-3-7-13(14(11)16)15(17)18-20/h3,5,7,12,20H,2,4,6,8-10H2,1H3,(H2,17,18).
What are the key properties of 3-[(3-ethoxypiperidin-1-yl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide?
3-[(3-ethoxypiperidin-1-yl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 295.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxypiperidin-1-yl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107116507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).