Basic information
- CAS
138030-55-4- Standard SMILES
CCOC(=O)C1CCN(Cc2ccncn2)CC1- InChIKey
RLGHLEUFIVJLCY-UHFFFAOYSA-N- Molecular formula
- C13H19N3O2
- Average molar mass
- 249.31 g/mol
- Monoisotopic mass
- 249.14772686
Names & identifiers
- Preferred name
- Ethyl 1-(4-pyrimidinylmethyl)-4-piperidinecarboxylate
- IUPAC
- ethyl 1-(pyrimidin-4-ylmethyl)piperidine-4-carboxylate
Names & synonyms
DTXSID101213203Ethyl 1-(4-pyrimidinylmethyl)-4-piperidinecarboxylateEthyl 1-[(pyrimidin-4-yl)methyl]piperidine-4-carboxylate138030-55-4
Database identifiers
- CAS
138030-55-4- PubChem CID
- 85620596
- DTXSID
DTXSID101213203
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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