Basic information
- CAS
63906-45-6- Standard SMILES
CC1CCCCN1CCCOC(=O)COc1ccccc1- InChIKey
DPFSZEXJIOUDSW-UHFFFAOYSA-N- Molecular formula
- C17H25NO3
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.18344366
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl phenoxyacetate
- IUPAC
- 3-(2-methylpiperidin-1-yl)propyl 2-phenoxyacetate
- English name
- Phenoxyacetic acid 3-(2-methylpiperidino)propyl ester
- Molecular formula
- C17H25NO3
- Molecular weight
- 291.39
Names & synonyms
63906-45-6DTXSID009809393-(2-Methylpiperidin-1-yl)propyl phenoxyacetateRefChem:1066603DTXCID1014082123-(2'-Methylpiperidino)propyl phenoxyacetateACETIC ACID, PHENOXY-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTERPhenoxyacetic acid 3-(2-methylpiperidino)propyl esterDB-309168Acetic acid, 2-phenoxy-, 3-(2-methyl-1-piperidinyl)propyl ester
Database identifiers
- CAS
63906-45-6- PubChem CID
- 45155
- DTXSID
DTXSID00980939- Nikkaji
- J86.264I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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