Basic information
- CAS
42018-22-4- Standard SMILES
CC(C)CC(=O)c1ccc(OCC(=O)N2CCCCC2)cc1- InChIKey
IGSPJUBTOYNWET-UHFFFAOYSA-N- Molecular formula
- C18H25NO3
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.18344366
Names & identifiers
- Preferred name
- Butyrophenone, 3-methyl-4'-piperidinocarbonylmethoxy-
- IUPAC
- 3-methyl-1-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]butan-1-one
Names & synonyms
BRN 1292189BUTYROPHENONE, 3-METHYL-4'-PIPERIDINOCARBONYLMETHOXY-3-Methyl-4'-piperidinylcarbonylmethoxybutyrophenone42018-22-4DTXSID70194824RefChem:331383DTXCID101173153-methyl-1-{4-[2-oxo-2-(piperidin-1-yl)ethoxy]phenyl}butan-1-one
Database identifiers
- CAS
42018-22-4- PubChem CID
- 39085
- DTXSID
DTXSID70194824- Nikkaji
- J67.480J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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