1-Isobutyl-4-piperidinone

C9H17NOCAS 72544-16-2155.24 g/mol

Open in Covalent MOL file
NO
KetoneTertiary amine

Properties

Molecular formula
C9H17NO
Molar mass
155.24 g/mol
Exact mass
155.1310 Da
Boiling point
105 °C (at 22 Torr)
logP
1.31Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
72544-16-2
SMILES
CC(C)CN1CCC(=O)CC1
InChIKey
KMTASGXMTBUSSP-UHFFFAOYSA-N
InChI
InChI=1S/C9H17NO/c1-8(2)7-10-5-3-9(11)4-6-10/h8H,3-7H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • 4-Piperidinone, 1-(2-methylpropyl)-
  • 1-(2-Methylpropyl)-4-piperidinone
  • 1-Isobutyl-4-piperidone
  • 1-(2-Methylpropyl)-4-piperidone
  • N-Isobutyl-4-piperidinone
  • 1-(2-Methylpropyl)piperidin-4-one

Work with 1-Isobutyl-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-Ethyl-4-piperidinone3612-18-852 % similar 1-Propyl-4-piperidone23133-37-150 % similar 1-(Isopropyl)-4-piperidone5355-68-050 % similar N-Isobutyl piperazine5308-28-146 % similar 1-Methyl-4-piperidone1445-73-444 % similar Isobutyl ketone108-83-842 % similar 1-Cyclopropylpiperidin-4-one62813-01-841 % similar 1-Acetyl-4-piperidone32161-06-140 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Butyl-4-piperidinone23081-86-9 Octyl isocyanate3158-26-7 Triacetonamine826-36-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook