Basic information
- CAS
599163-72-1- Standard SMILES
CCC(CC)C(=O)N1CCCC(C)C1- InChIKey
ATKGFHZEGBGJPR-UHFFFAOYSA-N- Molecular formula
- C12H23NO
- Average molar mass
- 197.32 g/mol
- Monoisotopic mass
- 197.17796436
Names & identifiers
- Preferred name
- 2-Ethyl-1-(3-methylpiperidin-1-yl)butan-1-one
- IUPAC
- 2-ethyl-1-(3-methylpiperidin-1-yl)butan-1-one
- English name
- Piperidine, 1-(2-ethyl-1-oxobutyl)-3-methyl- (9CI)
- Molecular formula
- C12H23NO
- Molecular weight
- 197.31712
Names & synonyms
599163-72-12-ethyl-1-(3-methylpiperidin-1-yl)butan-1-oneSCHEMBL13901270DTXSID90409043DB-327253PIPERIDINE, 1-(2-ETHYL-1-OXOBUTYL)-3-METHYL-1-(2-ETHYL-1-OXOBUTYL)-3-METHYL-PIPERIDINEPiperidine, 1-(2-ethyl-1-oxobutyl)-3-methyl- (9CI)
Database identifiers
- CAS
599163-72-1- PubChem CID
- 5162269
- DTXSID
DTXSID90409043
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…