4-{4-[4-(5-Bromo-pyridin-2-yl)-but-3-ynyl]-benzyl}-morpholine

HCID 69079684
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Basic information

Standard SMILES
Brc1ccc(C#CCCc2ccc(CN3CCOCC3)cc2)nc1
InChIKey
MAOLQTFETIVVPM-UHFFFAOYSA-N
Molecular formula
C20H21BrN2O
Average molar mass
385.3 g/mol

Names & identifiers

Preferred name
4-{4-[4-(5-Bromo-pyridin-2-yl)-but-3-ynyl]-benzyl}-morpholine
IUPAC
4-[[4-[4-(5-bromo-2-pyridinyl)but-3-ynyl]phenyl]methyl]morpholine

Names & synonyms

SCHEMBL4527778MAOLQTFETIVVPM-UHFFFAOYSA-N4-{4-[4-(5-bromo-pyridin-2-yl)-but-3-ynyl]-benzyl}-morpholine

Database identifiers

PubChem CID
69079684

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
25.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
24

Related reactions

6 records
New reaction record

Compound notes

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