Benzoic acid, p-allyloxy-, 3-(2'-methylpiperidino)propyl ester
Basic information
- CAS
63917-74-8- Standard SMILES
C=CCOc1ccc(C(=O)OCCCN2CCCCC2C)cc1- InChIKey
BBAOAXCNMFWVBH-UHFFFAOYSA-N- Molecular formula
- C19H27NO3
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.19909372
Names & identifiers
- Preferred name
- Benzoic acid, p-allyloxy-, 3-(2'-methylpiperidino)propyl ester
- IUPAC
- 3-(2-methylpiperidin-1-yl)propyl 4-prop-2-enoxybenzoate
Names & synonyms
3-(2'-Methylpiperidino)propyl p-allyloxybenzoate63917-74-8BENZOIC ACID, p-ALLYLOXY-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTERRefChem:327855DTXSID009810823-(2-Methylpiperidin-1-yl)propyl 4-[(prop-2-en-1-yl)oxy]benzoate
Database identifiers
- CAS
63917-74-8- PubChem CID
- 45317
- DTXSID
DTXSID00981082- Nikkaji
- J73.819K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 364
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Compound notes
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