chempirical

1-Isopropyl-4-piperidinone

C8H15NOCAS 5355-68-0141.21 g/mol

Open in Covalent MOL file
NO
KetoneTertiary amine

Properties

Molecular formula
C8H15NO
Molar mass
141.21 g/mol
Exact mass
141.1154 Da
Density
0.9495 g/mL (at 254 °C)
Melting point
105–105.5 °C
Boiling point
103 °C (at 25 Torr)
logP
1.06Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
5355-68-0
SMILES
CC(C)N1CCC(=O)CC1
InChIKey
CCDBCHAQIXKJCG-UHFFFAOYSA-N
InChI
InChI=1S/C8H15NO/c1-7(2)9-5-3-8(10)4-6-9/h7H,3-6H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names
  • 4-Piperidinone, 1-(1-methylethyl)-
  • 4-Piperidone, 1-isopropyl-
  • 1-(1-Methylethyl)-4-piperidinone
  • 1-Isopropyl-4-piperidone
  • N-Isopropyl-4-piperidinone
  • N-Isopropyl-4-piperidone
  • 1-(Propan-2-yl)piperidin-4-one
  • 1-Propan-2-ylpiperidin-4-one

Work with 1-Isopropyl-4-piperidinone

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Isobutyl-4-piperidinone72544-16-250 % similar 1-Methyl-4-piperidone1445-73-448 % similar 1-Ethyl-4-piperidinone3612-18-844 % similar 1-Acetyl-4-piperidone32161-06-143 % similar Isopropylpiperazine4318-42-742 % similar 4-Methylcyclohexanone589-92-442 % similar 1-Methylhexahydro-4-azepinone hydrochloride19869-42-242 % similar 1-Butyl-4-piperidinone23081-86-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Tropine120-29-6 Pseudotropine135-97-7 1-Propyl-4-piperidone23133-37-1 N-Butyl-2-pyrrolidone3470-98-2 N-(1,1-Dimethylethyl)-2-methyl-2-propenamide6554-73-0 Octahydro-2H-azonin-2-one935-30-8

Elsewhere

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