Basic information
- CAS
63916-90-5- Standard SMILES
CC(C)COc1ccc(C(=O)OCCCN2CCCCC2C)cc1- InChIKey
LDHRPGPXSCBURF-UHFFFAOYSA-N- Molecular formula
- C20H31NO3
- Average molar mass
- 333.5 g/mol
- Monoisotopic mass
- 333.23039385
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl 4-(2-methylpropoxy)benzoate
- IUPAC
- 3-(2-methylpiperidin-1-yl)propyl 4-(2-methylpropoxy)benzoate
- English name
- 3-(2-Methylpiperidino)propyl=p-isobutoxybenzoate
- Molecular formula
- C20H31NO3
- Molecular weight
- 333.46
Names & synonyms
3-(2-methylpiperidin-1-yl)propyl 4-(2-methylpropoxy)benzoate63916-90-5DTXSID50981037RefChem:1066570DTXCID2014083103-(2'-Methylpiperidino)propyl p-isobutoxybenzoateBENZOIC ACID, p-ISOBUTOXY-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTER3-(2-Methylpiperidino)propyl=p-isobutoxybenzoateBenzoic acid, 4-(2-methylpropoxy)-, 3-(2-methyl-1-piperidinyl)propyl ester
Database identifiers
- CAS
63916-90-5- PubChem CID
- 45252
- DTXSID
DTXSID50981037- Nikkaji
- J83.428I
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Boiling point
- 470.42 °C · 470.42°C (rough estimate)
- Density
- 1.0878 · 1.0878 (rough estimate)
- refractive index
- 1.5614 · 1.5614 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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