Ethyl 2-[1-(1-piperidinylmethyl)ethenyl]benzoate
Basic information
- CAS
1174636-78-2- Standard SMILES
C=C(CN1CCCCC1)c1ccccc1C(=O)OCC- InChIKey
SVLCYJGWZYIRFV-UHFFFAOYSA-N- Molecular formula
- C17H23NO2
- Average molar mass
- 273.37 g/mol
- Monoisotopic mass
- 273.17287898
Names & identifiers
- Preferred name
- Ethyl 2-[1-(1-piperidinylmethyl)ethenyl]benzoate
- IUPAC
- ethyl 2-(3-piperidin-1-ylprop-1-en-2-yl)benzoate
Names & synonyms
Ethyl 2-[1-(1-piperidinylmethyl)ethenyl]benzoateethyl 2-[3-(piperidin-1-yl)prop-1-en-2-yl]benzoateDTXSID6012393771174636-78-2
Database identifiers
- CAS
1174636-78-2- PubChem CID
- 53360985
- DTXSID
DTXSID601239377- Nikkaji
- J2.757.323A
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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