Basic information
- CAS
63906-46-7- Standard SMILES
CC1CCCCN1CCCOC(=O)Cc1ccccc1- InChIKey
HQRJTGCTWZMXKJ-UHFFFAOYSA-N- Molecular formula
- C17H25NO2
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.18852904
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl phenylacetate
- IUPAC
- 3-(2-methylpiperidin-1-yl)propyl 2-phenylacetate
- English name
- Phenylacetic acid 3-(2-methylpiperidino)propyl ester
- Molecular formula
- C17H25NO2
- Molecular weight
- 275.39
Names & synonyms
63906-46-7DTXSID109809403-(2-methylpiperidin-1-yl)propyl phenylacetateRefChem:1066605DTXCID8014082133-(2'-Methylpiperidino)propyl phenylacetateBRN 0193640ACETIC ACID, PHENYL-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTER4-20-00-01461 (Beilstein Handbook Reference)Phenylacetic acid 3-(2-methylpiperidino)propyl esterDB-309174Benzeneacetic acid, 3-(2-methyl-1-piperidinyl)propyl ester
Database identifiers
- CAS
63906-46-7- PubChem CID
- 45156
- DTXSID
DTXSID10980940- Nikkaji
- J86.266E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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