Basic information
- CAS
21630-29-5- Standard SMILES
CCOC(=O)CCN1CCC(C(=O)OCC)(c2ccccc2)CC1.Cl- InChIKey
CEUGFZXMRGCVSM-UHFFFAOYSA-N- Molecular formula
- C19H28ClNO4
- Average molar mass
- 369.9 g/mol
- Monoisotopic mass
- 369.1706861
Names & identifiers
- Preferred name
- Ethyl 1-(3-ethoxy-3-oxopropyl)-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1)
- IUPAC
- ethyl 1-(3-ethoxy-3-oxopropyl)-4-phenylpiperidine-4-carboxylate;hydrochloride
Names & synonyms
21630-29-5DTXSID80944231Ethyl 1-(3-ethoxy-3-oxopropyl)-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1)RefChem:1084707DTXCID001372583VUFB2766NIH 8242UM 6254-Carboxy-4-phenyl-1-piperidinepropionic acid diethyl ester hydrochloride1-Piperidinepropanoic acid, 4-(ethoxycarbonyl)-4-phenyl-, ethyl ester, hydrochloride1-Piperidinepropionic acid, 4-carboxy-4-phenyl-, diethyl ester, hydrochloride
Database identifiers
- CAS
21630-29-5- PubChem CID
- 210795
- DTXSID
DTXSID80944231
Properties
Computed structural properties
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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