3-Piperidinecarboxylic acid, 4-oxo-1-(2-phenylethyl)-, ethyl ester, hydrochloride (1:1)
Basic information
- CAS
1033-93-8- Standard SMILES
CCOC(=O)C1CN(CCc2ccccc2)CCC1=O.Cl- InChIKey
LMTQWMZJZQCHRG-UHFFFAOYSA-N- Molecular formula
- C16H22ClNO3
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.1288213
Names & identifiers
- Preferred name
- 3-Piperidinecarboxylic acid, 4-oxo-1-(2-phenylethyl)-, ethyl ester, hydrochloride (1:1)
- IUPAC
- ethyl 4-oxo-1-(2-phenylethyl)piperidine-3-carboxylate;hydrochloride
Names & synonyms
1033-93-8Ethyl 4-oxo-1-phenethylpiperidine-3-carboxylate hydrochlorideNSC-49903W6XBV86LPTRefChem:10685233-Piperidinecarboxylic acid, 4-oxo-1-(2-phenylethyl)-, ethyl ester, hydrochloride (1:1)213-850-43-Piperidinecarboxylic acid, 4-oxo-1-phenethyl-, hydrochlorideethyl 4-oxo-1-(2-phenylethyl)piperidine-3-carboxylate;hydrochloride3-Piperidinecarboxylicacid, 4-oxo-1-(2-phenylethyl)-, ethyl ester, hydrochloride (1:1)NSC 49903EINECS 213-850-4
Show more names
LMTQWMZJZQCHRG-UHFFFAOYSA-N3-Carbethoxy-1-(beta-phenethyl)-4-piperidone hydrochlorideNSC49903MFCD01701144NS00042645Ethyl 4-oxo-1-(2-phenylethyl)-3-piperidinecarboxylate hydrochloride3-Piperidinecarboxylic acid, 4-oxo-1-(2-phenylethyl)-, ethyl ester, hydrochloride
Database identifiers
- CAS
1033-93-8- PubChem CID
- 70576
- UNII
- W6XBV86LPT
- EC Number
- 213-850-4
Properties
Computed structural properties
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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