trans-(1)-3-Methyl-4-phenylpiperidine-4-carboxylic acid hydrobromide

HCID 44147697

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Basic information

CAS: 83898-64-0
Standard SMILES: Br.C[C@H]1CNCC[C@@]1(C(=O)O)c1ccccc1
InChIKey: UQWWEDMGUSOQGE-VVBGOIRUSA-N
Molecular formula: C13H18BrNO2
Average molar mass: 300.19 g/mol
Monoisotopic mass: 299.05209

Names & identifiers

Preferred name: trans-(1)-3-Methyl-4-phenylpiperidine-4-carboxylic acid hydrobromide
IUPAC: (3R,4S)-3-methyl-4-phenylpiperidine-4-carboxylic acid;hydrobromide

Names & synonyms

EINECS 281-276-183898-64-0trans-(1)-3-Methyl-4-phenylpiperidine-4-carboxylic acid hydrobromideUQWWEDMGUSOQGE-VVBGOIRUSA-NDTXSID5010040423-Methyl-4-phenylpiperidine-4-carboxylic acid--hydrogen bromide (1/1)(3R,4S)-3-Methyl-4-phenylpiperidine-4-carboxylic acid--hydrogen bromide (1/1)

Database identifiers

CAS: 83898-64-0
PubChem CID: 44147697
DTXSID: DTXSID501004042
EC Number: 281-276-1

Properties

Computed structural properties

Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 261

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