Basic information
- CAS
3309-23-7- Standard SMILES
CN1CCCC(C(=O)OCc2ccccc2)C1- InChIKey
GKNNRYJKHVPYCJ-UHFFFAOYSA-N- Molecular formula
- C14H19NO2
- Average molar mass
- 233.31 g/mol
- Monoisotopic mass
- 233.14157885
Names & identifiers
- Preferred name
- 3-Piperidinecarboxylic acid, 1-methyl-, benzyl ester
- IUPAC
- benzyl 1-methylpiperidine-3-carboxylate
Names & synonyms
3309-23-73-Piperidinecarboxylic acid, 1-methyl-, benzyl esterRefChem:10685171-Methylnipecotinic acid benzyl ester1-Methyl-3-piperidinecarboxylic acid benzyl ester1-Methyl-nipecotinsaeurebenzylester [German]1-Methyl-nipecotinsaeurebenzylesterbenzyl 1-methylpiperidine-3-carboxylateSCHEMBL13287235DTXSID00954716
Database identifiers
- CAS
3309-23-7- PubChem CID
- 201117
- DTXSID
DTXSID00954716
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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