chempirical

4'-Piperidinoacetophenone

C13H17NOCAS 10342-85-5203.28 g/mol

Open in Covalent MOL file
ON
KetoneTertiary amine

Properties

Molecular formula
C13H17NO
Molar mass
203.28 g/mol
Exact mass
203.1310 Da
Melting point
88.5–89.5 °C
logP
2.88Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
10342-85-5
SMILES
CC(=O)c1ccc(N2CCCCC2)cc1
InChIKey
JCMZZYSPSGHBNM-UHFFFAOYSA-N
InChI
InChI=1S/C13H17NO/c1-11(15)12-5-7-13(8-6-12)14-9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • 4′-Piperidinoacetophenone
  • Ethanone, 1-[4-(1-piperidinyl)phenyl]-
  • Acetophenone, 4′-piperidino-
  • 1-[4-(1-Piperidinyl)phenyl]ethanone
  • 4′-(1-Piperidinyl)acetophenone
  • 1-(p-Acetylphenyl)piperidine
  • NSC 102839
  • 1-[4-(Piperidin-1-yl)phenyl]ethan-1-one

Work with 4'-Piperidinoacetophenone

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-[4-(4-Methyl-1-piperazinyl)phenyl]ethanone26586-55-070 % similar 4-Morpholinoacetophenone39910-98-070 % similar 1-(4-Acetylphenyl)piperazine51639-48-670 % similar 4'-Diethylaminoacetophenone5520-66-166 % similar 4-Piperidin-1-yl-benzoic acid22090-24-059 % similar 4-Dimethylaminoacetophenone2124-31-456 % similar 4-(1-Pyrrolidinyl)benzoic acid22090-27-356 % similar 1,4-Diacetylbenzene1009-61-656 % similar

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

Same formula

1-Benzyl-hexahydro-4H-azepin-4-one1208-75-9 4-Benzylaminocyclohexanone142009-99-2 1-(Phenylmethyl)-4-piperidinecarboxaldehyde22065-85-6 2-Isocyanato-1,3-bis(1-methylethyl)benzene28178-42-9 1-Benzyl-3-methylpiperidin-4-one34737-89-8 N-Phenethyl-4-piperidinone39742-60-4 2,6,7,8-Tetrahydro-1H-indeno[5,4-B]furan-8-ylethylamine448964-37-2 Crotamiton483-63-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook