Ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate
Basic information
- CAS
602268-68-8- Standard SMILES
[C-]#[N+]CCCN1CCC(C(=O)OCC)CC1- InChIKey
JCBQBTQQRNCSMP-UHFFFAOYSA-N- Molecular formula
- C12H20N2O2
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.15247789
Names & identifiers
- Preferred name
- Ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate
- IUPAC
- ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate
- English name
- 4-Piperidinecarboxylicacid,1-(3-isocyanopropyl)-,ethylester(9CI)
- Molecular formula
- C12H20N2O2
- Molecular weight
- 0
Names & synonyms
Ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate602268-68-8DTXSID60398152ETHYL 1-(3-ISOCYANOPROPYL)-4-PIPERIDINECARBOXYLATE4-Piperidinecarboxylicacid,1-(3-isocyanopropyl)-,ethylester(9CI)
Database identifiers
- CAS
602268-68-8- PubChem CID
- 3945565
- DTXSID
DTXSID60398152
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 33.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
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Compound notes
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