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1-{3-[(4'-Bromobiphenyl-4-yl)oxy]propyl}piperidine

HCID 23150313
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Brc1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1
InChIKey
MCQNNFRHDDGVSK-UHFFFAOYSA-N
Molecular formula
C20H24BrNO
Average molar mass
374.3 g/mol

Names & identifiers

Preferred name
1-{3-[(4'-Bromobiphenyl-4-yl)oxy]propyl}piperidine
IUPAC
1-[3-[4-(4-bromophenyl)phenoxy]propyl]piperidine

Names & synonyms

SCHEMBL4090224MCQNNFRHDDGVSK-UHFFFAOYSA-N1-{3-[(4'-bromobiphenyl-4-yl)oxy]propyl}piperidine

Database identifiers

PubChem CID
23150313

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
23
Formal charge
0
Complexity
316

Related reactions

4 records
New reaction record
HRID 118806 reaction equation
HRID 118806As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 657647 reaction equation
HRID 657647As reactantuspto-grants-2011_12
HRID 657649 reaction equation
HRID 657649As reactantuspto-grants-2011_12
HRID 829548 reaction equation
HRID 829548As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes