Methyl 1-benzyl-6-oxopiperidine-3-carboxylate
Basic information
- CAS
156779-11-2- Standard SMILES
COC(=O)C1CCC(=O)N(Cc2ccccc2)C1- InChIKey
JIANYAQFNMZKHH-UHFFFAOYSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.1208434
Names & identifiers
- Preferred name
- Methyl 1-benzyl-6-oxopiperidine-3-carboxylate
- IUPAC
- methyl 1-benzyl-6-oxopiperidine-3-carboxylate
- English name
- Methyl 1-Benzyl-6-oxopiperidine-3-carboxylate
- Molecular formula
- C14H17NO3
- Molecular weight
- 247.29
Names & synonyms
METHYL 1-BENZYL-6-OXOPIPERIDINE-3-CARBOXYLATE156779-11-2MFCD168830823-Piperidinecarboxylic acid, 6-oxo-1-(phenylmethyl)-, methyl esterMethyl1-Benzyl-6-oxopiperidine-3-carboxylateMethyl 1-benzyl-6-oxo-piperidine-3-carboxylateSCHEMBL20488351DTXSID60437252AKOS015903575CS-W003886SB43611AS-42872
Show more names
Methyl 1-Benzyl-6-oxopiperidine-3-6-oxo-1-(phenylmethyl)-3-Piperidinecarboxylic acid methyl ester
SY009585DB-064141F220215
Database identifiers
- CAS
156779-11-2- PubChem CID
- 10243689
- DTXSID
DTXSID60437252- Nikkaji
- J3.444.666K
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Boiling point
- 409.9 · 409.9±45.0 °C(Predicted)
- Density
- 1.177 · 1.177±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -1 · -1+-.0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-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
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
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Related reactions
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Compound notes
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