Basic information
- CAS
63916-91-6- Standard SMILES
CC(C)CCc1ccc(C(=O)OCCCN2CCCCC2C)cc1- InChIKey
SVWGJWSFYJTBFL-UHFFFAOYSA-N- Molecular formula
- C21H33NO2
- Average molar mass
- 331.5 g/mol
- Monoisotopic mass
- 331.2511293
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl 4-(3-methylbutyl)benzoate
- IUPAC
- 3-(2-methylpiperidin-1-yl)propyl 4-(3-methylbutyl)benzoate
- English name
- 3-(2-Methylpiperidino)propyl=p-isopentylbenzoate
- Molecular formula
- C21H33NO2
- Molecular weight
- 331.49
Names & synonyms
3-(2-methylpiperidin-1-yl)propyl 4-(3-methylbutyl)benzoate63916-91-6DTXSID10981038RefChem:1066573DTXCID9014083113-(2'-Methylpiperidino)propyl p-isopentylbenzoateBENZOIC ACID, p-ISOPENTYL-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTER3-(2-Methylpiperidino)propyl=p-isopentylbenzoateBenzoic acid, 4-(3-methylbutyl)-, 3-(2-methyl-1-piperidinyl)propyl ester
Database identifiers
- CAS
63916-91-6- PubChem CID
- 45253
- DTXSID
DTXSID10981038- Nikkaji
- J83.433E
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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