Basic information
- CAS
63916-77-8- Standard SMILES
CC1CCN(CC(C)(C)COC(=O)c2ccccc2)CC1- InChIKey
OYMQAWWYAKWMSI-UHFFFAOYSA-N- Molecular formula
- C18H27NO2
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.2041791
Names & identifiers
- Preferred name
- Benzoic acid, 2,2-dimethyl-3-(4'-methylpiperidino)propyl ester
- IUPAC
- [2,2-dimethyl-3-(4-methylpiperidin-1-yl)propyl] benzoate
- English name
- 2,2-Dimethyl-3-(4-methylpiperidino)propyl=benzoate
- Molecular formula
- C18H27NO2
- Molecular weight
- 289.41
Names & synonyms
63916-77-82,2-Dimethyl-3-(4'-methylpiperidino)propyl benzoateBENZOIC ACID, 2,2-DIMETHYL-3-(4'-METHYLPIPERIDINO)PROPYL ESTERDTXSID50213663RefChem:326529DTXCID801361542,2-DIMETHYL-3-(4-METHYLPIPERIDIN-1-YL)PROPYL BENZOATE2,2-Dimethyl-3-(4-methylpiperidino)propyl=benzoate
Database identifiers
- CAS
63916-77-8- PubChem CID
- 45239
- DTXSID
DTXSID50213663- Nikkaji
- J83.374F
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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