4-Methyl-1-(1-piperidinyl)-1-penten-3-one
Basic information
- CAS
13606-83-2- Standard SMILES
CC(C)C(=O)C=CN1CCCCC1- InChIKey
LSMUKLFKZKFRMO-UHFFFAOYSA-N- Molecular formula
- C11H19NO
- Average molar mass
- 181.27 g/mol
- Monoisotopic mass
- 181.14666423
Names & identifiers
- Preferred name
- 4-Methyl-1-(1-piperidinyl)-1-penten-3-one
- IUPAC
- 4-methyl-1-piperidin-1-ylpent-1-en-3-one
- English name
- 4-Methyl-1-(1-piperidinyl)-1-penten-3-one
- Molecular formula
- C11H19NO
- Molecular weight
- 181.27
Names & synonyms
13606-83-24-methyl-1-piperidin-1-ylpent-1-en-3-one4-Methyl-1-(1-piperidinyl)-1-penten-3-oneDTXSID903430394-Methyl-1-(piperidin-1-yl)pent-1-en-3-one1-Penten-3-one, 4-methyl-1-(1-piperidinyl)-
Database identifiers
- CAS
13606-83-2- PubChem CID
- 586803
- DTXSID
DTXSID90343039
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Boiling point
- 111 · 111-113 °C(Press: 0.01 Torr)
- Density
- 1.004 · 1.004±0.06 g/cm3(Predicted)
- pka
- 6.87 · 6.87±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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