Basic information
- CAS
73790-84-8- Standard SMILES
CC(C)C(=O)C(C)(C)C(=O)N1CCCCC1- InChIKey
SLTCQIMTEMTYEH-UHFFFAOYSA-N- Molecular formula
- C13H23NO2
- Average molar mass
- 225.33 g/mol
- Monoisotopic mass
- 225.17287898
Names & identifiers
- Preferred name
- Piperidine, 1-(3-oxo-2,2,4-trimethylvaleryl)-
- IUPAC
- 2,2,4-trimethyl-1-piperidin-1-ylpentane-1,3-dione
- English name
- 1-(3-Oxo-2,2,4-trimethylvaleryl)piperidine
- Molecular formula
- C13H23NO2
- Molecular weight
- 225.33
Names & synonyms
1-(3-Oxo-2,2,4-trimethylvaleryl)piperidine73790-84-8Piperidine, 1-(3-oxo-2,2,4-trimethylvaleryl)-NSC 220114BRN 1243249Piperidine, 1-(2,2,4-trimethyl-1,3-dioxopentyl)-DTXSID002241835-20-03-00113 (Beilstein Handbook Reference)RefChem:373075DTXCID00146674Piperidine, 1-(2,2,4-trimethyl-1,3-dioxopentyl)-(9CI)Piperidine, 1-(2,2,4-trimethyl-3-oxovaleryl)-
Show more names
1,3-Pentanedione, 2,2,4-trimethyl-1-(1-piperidinyl)-
NSC-220114NSC22011489337SV9XNPiperidine,2,4-trimethylvaleryl)-2,2,4-TRIMETHYL-1-(PIPERIDIN-1-YL)PENTANE-1,3-DIONEWLN: T6NTJ AVY1&VX1&1&11-(3-Oxo-2,4-trimethylvaleryl)piperidinePiperidine,2,4-trimethyl-1,3-dioxopentyl)-
Database identifiers
- CAS
73790-84-8- PubChem CID
- 99355
- DTXSID
DTXSID00224183- UNII
- 89337SV9XN
- Nikkaji
- J83.585D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- FDA UNII
- 89337 SV9XN · 89337SV9XN
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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