Isonipecotic acid, 1-acetonyl-4-phenyl-, ethyl ester
Basic information
- CAS
102395-61-9- Standard SMILES
CCOC(=O)C1(c2ccccc2)CCN(CC(C)=O)CC1- InChIKey
MSRCHHJMIZQCQD-UHFFFAOYSA-N- Molecular formula
- C17H23NO3
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.1677936
Names & identifiers
- Preferred name
- Isonipecotic acid, 1-acetonyl-4-phenyl-, ethyl ester
- IUPAC
- ethyl 1-(2-oxopropyl)-4-phenylpiperidine-4-carboxylate
Names & synonyms
1-Acetonyl-4-phenylisonipecotic acid ethyl esterISONIPECOTIC ACID, 1-ACETONYL-4-PHENYL-, ETHYL ESTER1-(2-Oxopropyl)-4-carbethoxy-4-phenylpiperidine102395-61-9DTXSID70145013RefChem:349736DTXCID5067504ethyl 1-(2-oxopropyl)-4-phenylpiperidine-4-carboxylate
Database identifiers
- CAS
102395-61-9- PubChem CID
- 59323
- DTXSID
DTXSID70145013- Nikkaji
- J68.661A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 366
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Compound notes
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