1,3-Benzodioxol-5-yl piperidine-1-carboxylate
Basic information
- CAS
5451-82-1- Standard SMILES
O=C(Oc1ccc2c(c1)OCO2)N1CCCCC1- InChIKey
XHDWIXUNOVEGHY-UHFFFAOYSA-N- Molecular formula
- C13H15NO4
- Average molar mass
- 249.26 g/mol
- Monoisotopic mass
- 249.10010796
Names & identifiers
- Preferred name
- 1,3-Benzodioxol-5-yl piperidine-1-carboxylate
- IUPAC
- 1,3-benzodioxol-5-yl piperidine-1-carboxylate
- English name
- 1,3-benzodioxol-5-yl 1-piperidinecarboxylate
- Molecular formula
- C13H15NO4
- Molecular weight
- 249.26
Names & synonyms
1,3-benzodioxol-5-yl piperidine-1-carboxylate5451-82-11-Piperidinecarboxylic acid, 1,3-benzodioxol-5-yl esterNSC218651,3-benzodioxol-5-yl 1-piperidinecarboxylateSCHEMBL11692415DTXSID60281515NSC 21865NSC-21865AKOS002266324NCGC00665216-01ST50754132
Show more names
2H-1,3-benzodioxol-5-yl piperidine-1-carboxylateAP-124/433835192H-benzo[3,4-d]1,3-dioxolan-5-yl piperidinecarboxylateZ274554100
Database identifiers
- CAS
5451-82-1- PubChem CID
- 228750
- DTXSID
DTXSID60281515
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Boiling point
- 376.3 · 376.3±42.0 °C(Predicted)
- Density
- 1.299 · 1.299±0.06 g/cm3(Predicted)
- pka
- -1.53 · -1.53±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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