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2-Bromo-4-(piperidin-1-yl)benzaldehyde

HCID 7148645
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=Cc1ccc(N2CCCCC2)cc1Br
InChIKey
GLMXDDKHUYVYLP-UHFFFAOYSA-N
Molecular formula
C12H14BrNO
Average molar mass
268.15 g/mol

Names & identifiers

Preferred name
2-Bromo-4-(piperidin-1-yl)benzaldehyde
IUPAC
2-bromo-4-piperidin-1-ylbenzaldehyde

Names & synonyms

2-bromo-4-(piperidin-1-yl)benzaldehyde2-bromo-4-piperidin-1-ylbenzaldehyde886502-22-32-Bromo-4-piperidin-1-yl-benzaldehydeSCHEMBL1646796GLMXDDKHUYVYLP-UHFFFAOYSA-NAKOS000101436

Database identifiers

PubChem CID
7148645

Properties

Computed structural properties

XLogP
3
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
216

Related reactions

2 records
New reaction record
HRID 210767 reaction equation
HRID 210767As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1040407 reaction equation
HRID 1040407As productuspto-grants-2013_10

Compound notes

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