Ethyl 4-phenylpiperidin-1-ium-4-carboxylate chloride
Basic information
- CAS
24465-45-0- Standard SMILES
CCOC(=O)C1(c2ccccc2)CC[NH2+]CC1.[Cl-]- InChIKey
BBWMASBANDIFMV-UHFFFAOYSA-N- Molecular formula
- C14H20ClNO2
- Average molar mass
- 269.77 g/mol
- Monoisotopic mass
- 269.1182566
Overview
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Names & identifiers
- Preferred name
- Ethyl 4-phenylpiperidin-1-ium-4-carboxylate chloride
- IUPAC
- ethyl 4-phenylpiperidin-1-ium-4-carboxylate chloride
Names & synonyms
AKOS030255915
Database identifiers
- CAS
24465-45-0- PubChem CID
- 32413
Properties
Computed structural properties
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 253
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Compound notes
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