1-Butyl-4-piperidinone

C₉H₁₇NOCAS 23081-86-9155.24 g/mol

Open in Covalent MOL file

Ketone Tertiary amine

Properties

Molecular formula: C₉H₁₇NO
Molar mass: 155.24 g/mol
Exact mass: 155.1310 Da
Boiling point: 66 °C (at 1 Torr)
logP: 1.45Crippen estimate
Polar surface area: 20.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

23081-86-9

SMILES

CCCCN1CCC(=O)CC1

InChIKey

OCNWYKFGWLGNHZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H17NO/c1-2-3-6-10-7-4-9(11)5-8-10/h2-8H2,1H3

Weigh it out

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

Names and synonyms

6 names

4-Piperidinone, 1-butyl-
4-Piperidone, 1-butyl-
N-Butyl-4-piperidone
1-Butyl-4-piperidone
1-n-Butyl-4-piperidone
N-Butyl-4-piperidinone

Work with 1-Butyl-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-Propyl-4-piperidone23133-37-175 % similar 5-Nonanone502-56-758 % similar 1-Ethyl-4-piperidinone3612-18-858 % similar 6-Undecanone927-49-156 % similar 11-Heneicosanone19781-72-754 % similar Hexyl ketone462-18-054 % similar Nonyl ketone504-57-454 % similar 14-Heptacosanone542-50-754 % similar

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

Same formula

Octyl isocyanate3158-26-7 1-Isobutyl-4-piperidinone72544-16-2 Triacetonamine826-36-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook