1-(2-(4-Iodophenoxy)ethyl)-4-methylpiperidine

HCID 69061017

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC1CCN(CCOc2ccc(I)cc2)CC1
InChIKey: DNBLCWMBEKECDS-UHFFFAOYSA-N
Molecular formula: C14H20INO
Average molar mass: 345.22 g/mol

Names & identifiers

Preferred name: 1-(2-(4-Iodophenoxy)ethyl)-4-methylpiperidine
IUPAC: 1-[2-(4-iodophenoxy)ethyl]-4-methylpiperidine

Names & synonyms

1-(2-(4-Iodophenoxy)ethyl)-4-methylpiperidine1-[2-(4-iodophenoxy)ethyl]-4-methylpiperidine401502-30-5SCHEMBL4484351DNBLCWMBEKECDS-UHFFFAOYSA-NDB-3905731-[2-(4-iodo-phenoxy)-ethyl]-4-methyl-piperidineA1-66472

Database identifiers

PubChem CID: 69061017

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 208

Related reactions

16 records

New reaction record

HRID 107927As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 148109As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 206138As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 271709As reactantuspto-grants-2008_11

HRID 282238As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 304226As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 734821As productuspto-grants-2009_09

HRID 734823As reactantuspto-grants-2009_09

Compound notes

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