1-Acetyl-4-piperidone
Properties
- Molecular formula
- C7H11NO2
- Molar mass
- 141.17 g/mol
- Exact mass
- 141.0790 Da
- Density
- 1.14 g/mL
- Boiling point
- 218 °C
- logP
- 0.20Crippen estimate
- Polar surface area
- 37.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
32161-06-1SMILES
CC(=O)N1CCC(=O)CC1InChIKey
NNFOVLFUGLWWCL-UHFFFAOYSA-NInChI
InChI=1S/C7H11NO2/c1-6(9)8-4-2-7(10)3-5-8/h2-5H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- 4-Piperidinone, 1-acetyl-
- 4-Piperidone, 1-acetyl-
- 1-Acetyl-4-piperidinone
- 1-Acetyl-4-oxopiperidine
- N-Acetyl-4-piperidinone
- N-Acetyl-4-piperidone
Work with 1-Acetyl-4-piperidone
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
N-Acetylpyrrolidine4030-18-661 % similar
1-Acetylpiperidine618-42-858 % similar
1-Acetylpiperazine13889-98-054 % similar
N-Acetylmorpholine1696-20-454 % similar
1-(4-Aminopiperidin-1-yl)ethan-1-one160357-94-848 % similar
1-Acetylpiperidin-4-ol4045-22-148 % similar
1-Methyl-4-piperidone1445-73-448 % similar
N,N-Diethylacetamide685-91-648 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.