2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide

C14H20FN3O — CID 63668655

IUPAC2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N1CCCC(OCC)C1
InChIInChI=1S/C14H20FN3O/c1-2-19-11-4-3-7-18(9-11)13-6-5-10(15)8-12(13)14(16)17/h5-6,8,11H,2-4,7,9H2,1H3,(H3,16,17)
InChIKeyBWWLFRXNQDECIW-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.12
Rot. Bonds4

About 2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide

2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide (PubChem CID 63668655) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide
PubChem CID63668655
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N1CCCC(OCC)C1
InChIInChI=1S/C14H20FN3O/c1-2-19-11-4-3-7-18(9-11)13-6-5-10(15)8-12(13)14(16)17/h5-6,8,11H,2-4,7,9H2,1H3,(H3,16,17)
InChIKeyBWWLFRXNQDECIW-UHFFFAOYSA-N
XLogP2.12
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.12
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'}

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Related Compounds

3-bromo-4-(3-ethoxypiperidin-1-yl)benzenecarboximidamide
CID 82798680
5-fluoro-2-(4-methylazepan-1-yl)benzenecarboximidamide
CID 63667982
2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide
CID 114017311
4-methyl-2-(3-propoxypiperidin-1-yl)benzenecarboximidamide
CID 62306922
2-(3-ethoxypiperidin-1-yl)-5-methylbenzenecarbothioamide
CID 107928760
3-bromo-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide
CID 82800266
2-(3-ethylpiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43584579
2-(3-ethoxypiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550313
2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004290
2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide
CID 114017272
4-chloro-2-(3-ethoxypiperidin-1-yl)benzenecarbothioamide
CID 63093328
2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide
CID 63290724

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide (CID 63668655) is 2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1N1CCCC(OCC)C1.
What is the InChIKey of 2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide?
The InChIKey is BWWLFRXNQDECIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-2-19-11-4-3-7-18(9-11)13-6-5-10(15)8-12(13)14(16)17/h5-6,8,11H,2-4,7,9H2,1H3,(H3,16,17).
What are the key properties of 2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide?
2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide has a molecular weight of 265.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypiperidin-1-yl)-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 63668655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).