3-(4-Bromo-2,6-dimethylphenoxymethyl)-1-methylpiperidine

HCID 9948656

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc(Br)cc(C)c1OCC1CCCN(C)C1
InChIKey: YDYKRTYDLMQIDI-UHFFFAOYSA-N
Molecular formula: C15H22BrNO
Average molar mass: 312.24 g/mol

Names & identifiers

Preferred name: 3-(4-Bromo-2,6-dimethylphenoxymethyl)-1-methylpiperidine
IUPAC: 3-[(4-bromo-2,6-dimethylphenoxy)methyl]-1-methylpiperidine

Names & synonyms

SCHEMBL7946336YDYKRTYDLMQIDI-UHFFFAOYSA-N3-(4-bromo-2,6-dimethylphenoxymethyl)-1 -methylpiperidine3-(4-bromo-2,6-dimethylphenoxymethyl)-1-methylpiperidine

Database identifiers

PubChem CID: 9948656

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 249

Related reactions

10 records

New reaction record

HRID 169712As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 299258As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 945151As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1214693As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1384979As productuspto-grants-2001_07

HRID 1384980As reactantuspto-grants-2001_07

HRID 1384990As reactantuspto-grants-2001_07

HRID 1872669As productuspto-grants-2000_08

Compound notes

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