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Basic information
- Standard SMILES
C=C(Br)CC1(C(=O)OCC)CCN(C(=O)OC(C)(C)C)CC1- InChIKey
XBSDLGFPVFJNBG-UHFFFAOYSA-N- Molecular formula
- C16H26BrNO4
- Average molar mass
- 376.29 g/mol
Names & identifiers
- Preferred name
- 1-Tert-butyl 4-ethyl 4-(2-bromoallyl)piperidine-1,4-dicarboxylate
- IUPAC
- 1-O-tert-butyl 4-O-ethyl 4-(2-bromoprop-2-enyl)piperidine-1,4-dicarboxylate
Names & synonyms
SCHEMBL15437334XBSDLGFPVFJNBG-UHFFFAOYSA-NDB-1284861-tert-butyl 4-ethyl 4-(2-bromoallyl)piperidine-1,4-dicarboxylate4-(2-bromo-2-propen-1-yl)-1,4-piperidinedicarboxylic acid 1-(1,1-dimethylethyl) 4-ethyl ester
Database identifiers
- PubChem CID
- 86709502
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 434
Related reactions
6 records
Compound notes
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