Basic information
- CAS
71548-58-8- Standard SMILES
CC(Oc1ccc(Cc2ccc(Cl)cc2)cc1)C(=O)OC1CCN(C)CC1- InChIKey
XIFZZVKOOUYIAV-UHFFFAOYSA-N- Molecular formula
- C22H26ClNO3
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.1601214
Names & identifiers
- Preferred name
- Propionic acid, 2-(4-(4-chlorobenzyl)phenoxy)-, 1-methyl-4-piperidyl ester, (+-)-
- IUPAC
- (1-methylpiperidin-4-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate
Names & synonyms
BRN 1504603Sgd 248-7471548-58-8(+-)-2-(4-(4-Chlorobenzyl)phenoxy)propionic acid 1-methyl-4-piperidyl esterPropionic acid, 2-(4-(4-chlorobenzyl)phenoxy)-, 1-methyl-4-piperidyl ester, (+-)-RefChem:375128DTXSID10992048(1-methylpiperidin-4-yl)2-[4-[(4-chlorophenyl)methyl]phenoxy]propanoate1-METHYLPIPERIDIN-4-YL 2-{4-[(4-CHLOROPHENYL)METHYL]PHENOXY}PROPANOATE
Database identifiers
- CAS
71548-58-8- PubChem CID
- 3054635
- DTXSID
DTXSID10992048
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…