Nipecotic acid, 1-methyl-4-phenyl-, propyl ester, hydrobromide, (Z)-(+-)-
Basic information
- CAS
57153-01-2- Standard SMILES
CCCOC(=O)[C@@H]1C[NH+](C)CC[C@@H]1c1ccccc1.[Br-]- InChIKey
XIPOFIKFJDIYEZ-CTHHTMFSSA-N- Molecular formula
- C16H24BrNO2
- Average molar mass
- 342.27 g/mol
- Monoisotopic mass
- 341.09904
Names & identifiers
- Preferred name
- Nipecotic acid, 1-methyl-4-phenyl-, propyl ester, hydrobromide, (Z)-(+-)-
- IUPAC
- propyl (3S,4S)-1-methyl-4-phenylpiperidin-1-ium-3-carboxylate bromide
Names & synonyms
NIPECOTIC ACID, 1-METHYL-4-PHENYL-, PROPYL ESTER, HYDROBROMIDE, (Z)-(+-)-57153-01-2RefChem:1092435(+-)-1-Methyl-4-phenylnipecotic acid propyl ester hydrobromide
Database identifiers
- CAS
57153-01-2- PubChem CID
- 42149
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 286
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Compound notes
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