Basic information
- CAS
63916-71-2- Standard SMILES
CC1CCCCN1CCCOC(=O)c1ccc(Cl)cc1- InChIKey
QPKUCZZRNHHWCJ-UHFFFAOYSA-N- Molecular formula
- C16H22ClNO2
- Average molar mass
- 295.8 g/mol
- Monoisotopic mass
- 295.1339066
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl 4-chlorobenzoate
- IUPAC
- 3-(2-methylpiperidin-1-yl)propyl 4-chlorobenzoate
Names & synonyms
3-(2-methylpiperidin-1-yl)propyl 4-chlorobenzoate63916-71-2DTXSID40981021RefChem:1066585DTXCID3014082943-(2'-Methylpiperidino)propyl p-chlorobenzoateBENZOIC ACID, p-CHLORO-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTER
Database identifiers
- CAS
63916-71-2- PubChem CID
- 30879
- DTXSID
DTXSID40981021- Nikkaji
- J73.917K
Properties
Computed structural properties
- XLogP
- 4.1
- 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
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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