Basic information
- CAS
1039553-79-1- Standard SMILES
CCOC(=O)N1CCCC(Cl)C1- InChIKey
WDSCEFUJGOAVJP-UHFFFAOYSA-N- Molecular formula
- C8H14ClNO2
- Average molar mass
- 191.65 g/mol
- Monoisotopic mass
- 191.0713064
Names & identifiers
- Preferred name
- Ethyl 3-chloro-1-piperidinecarboxylate
- IUPAC
- ethyl 3-chloropiperidine-1-carboxylate
Names & synonyms
DTXSID301281981Ethyl 3-chloro-1-piperidinecarboxylateEthyl 3-chloropiperidine-1-carboxylate1039553-79-1
Database identifiers
- CAS
1039553-79-1- PubChem CID
- 91663230
- DTXSID
DTXSID301281981
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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