((2S,3R)-2-(Aminomethyl)-3-methylpiperidin-1-yl)(2-bromo-5-methylphenyl)methanone

HCID 89739769
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Basic information

Standard SMILES
Cc1ccc(Br)c(C(=O)N2CCC[C@@H](C)[C@H]2CN)c1
InChIKey
CRZNABJDQZSTAL-BXUZGUMPSA-N
Molecular formula
C15H21BrN2O
Average molar mass
325.24 g/mol

Names & identifiers

Preferred name
((2S,3R)-2-(Aminomethyl)-3-methylpiperidin-1-yl)(2-bromo-5-methylphenyl)methanone
IUPAC
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-bromo-5-methylphenyl)methanone

Names & synonyms

SCHEMBL15174301CRZNABJDQZSTAL-BXUZGUMPSA-N((2S,3R)-2-(Aminomethyl)-3-methylpiperidin-1-yl)(2-bromo-5-methylphenyl)methanonerac-((2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl)(2-bromo-5-methylphenyl)methanone

Database identifiers

PubChem CID
89739769

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
46.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
19

Related reactions

2 records
New reaction record

Compound notes

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