Benzyl 3-chloropiperidine-1-carboxylate
Basic information
- CAS
1353965-30-6- Standard SMILES
O=C(OCc1ccccc1)N1CCCC(Cl)C1- InChIKey
MTEPMPARHBCILW-UHFFFAOYSA-N- Molecular formula
- C13H16ClNO2
- Average molar mass
- 253.72 g/mol
- Monoisotopic mass
- 253.0869564
Names & identifiers
- Preferred name
- Benzyl 3-chloropiperidine-1-carboxylate
- IUPAC
- benzyl 3-chloropiperidine-1-carboxylate
- English name
- 3-Chloro-piperidine-1-carboxylic acid benzyl ester
- Molecular formula
- C13H16ClNO2
- Molecular weight
- 253.72464
Names & synonyms
benzyl 3-chloropiperidine-1-carboxylate1353965-30-63-Chloro-piperidine-1-carboxylic acid benzyl esterMFCD09953344DTXSID301193277benzyl3-chloropiperidine-1-carboxylateDB-252441F72362F0873621-Piperidinecarboxylic acid, 3-chloro-, phenylmethyl ester
Database identifiers
- CAS
1353965-30-6- PubChem CID
- 66569079
- DTXSID
DTXSID301193277
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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