1-Acetylpiperidine
Properties
- Molecular formula
- C7H13NO
- Molar mass
- 127.19 g/mol
- Exact mass
- 127.0997 Da
- Melting point
- −13.4 °C
- Boiling point
- 226.5 °C
- logP
- 1.02Crippen estimate
- Polar surface area
- 20.3 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation52% of notifiers
- H319 Causes serious eye irritation52% of notifiers
- H335 May cause respiratory irritation50.7% of notifiers
Aggregated from 75 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
618-42-8SMILES
CC(=O)N1CCCCC1InChIKey
KDISMIMTGUMORD-UHFFFAOYSA-NInChI
InChI=1S/C7H13NO/c1-7(9)8-5-3-2-4-6-8/h2-6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Ethanone, 1-(1-piperidinyl)-
- Piperidine, 1-acetyl-
- 1-(1-Piperidinyl)ethanone
- Acetic acid, piperidide
- N-Acetylpiperidine
- Acetylpiperidide
- NSC 239
- 1-(Piperidin-1-yl)ethan-1-one
Work with 1-Acetylpiperidine
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-Acetylpyrrolidine4030-18-694 % similar
N-Acetylhomopiperazine61903-11-562 % similar
1-Acetylpiperazine13889-98-058 % similar
N-Acetylmorpholine1696-20-458 % similar
1-Acetyl-4-piperidone32161-06-158 % similar
N,N-Diethylacetamide685-91-652 % similar
1-(4-Aminopiperidin-1-yl)ethan-1-one160357-94-852 % similar
Acetylcaprolactam1888-91-152 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.