5-Bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine

HCID 66876144

Notes Reactions

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Basic information

Standard SMILES: Brc1ccc(Oc2cccc(C=C3CCNCC3)c2)nc1
InChIKey: AKTHYZZQSZJSGM-UHFFFAOYSA-N
Molecular formula: C17H17BrN2O
Average molar mass: 345.2 g/mol
Monoisotopic mass: 344.05243

Names & identifiers

Preferred name: 5-Bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine
IUPAC: 5-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine

Database identifiers

PubChem CID: 66876144

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 34.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 353

Related reactions

3 records

New reaction record

HRID 162198 reaction equation

HRID 162198As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1138059 reaction equation

HRID 1138059As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2336254 reaction equation

HRID 2336254As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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