1-[4-(4-Methyl-1-piperazinyl)phenyl]ethanone

C₁₃H₁₈N₂OCAS 26586-55-0218.30 g/mol

Open in Covalent MOL file

Ketone Tertiary amine

Properties

Molecular formula: C₁₃H₁₈N₂O
Molar mass: 218.30 g/mol
Exact mass: 218.1419 Da
logP: 1.64Crippen estimate
Polar surface area: 23.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

26586-55-0

SMILES

CC(=O)c1ccc(N2CCN(C)CC2)cc1

InChIKey

IRIZGAMYKHTLKS-UHFFFAOYSA-N

InChI

InChI=1S/C13H18N2O/c1-11(16)12-3-5-13(6-4-12)15-9-7-14(2)8-10-15/h3-6H,7-10H2,1-2H3

Weigh it out

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

Names and synonyms

6 names

Ethanone, 1-[4-(4-methyl-1-piperazinyl)phenyl]-
4-(4-Methyl-1-piperazinyl)acetophenone
NSC 102840
1-[4-(4-Methylpiperazino)phenyl]-1-ethanone
1-[4-(4-Methylpiperazin-1-yl)phenyl]ethanone
1-(4-(4-Methylpiperazin-1-yl)phenyl)ethan-1-one

Work with 1-[4-(4-Methyl-1-piperazinyl)phenyl]ethanone

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

4′-Piperidinoacetophenone10342-85-570 % similar 4′-Morpholinoacetophenone39910-98-066 % similar 1-(4-Acetylphenyl)piperazine51639-48-666 % similar 1-[4-(Dimethylamino)phenyl]ethanone2124-31-458 % similar 1,4-Diacetylbenzene1009-61-652 % similar 4-(4-Methyl-1-piperazinyl)benzaldehyde27913-99-151 % similar N-(4-Acetylphenyl)maleimide1082-85-547 % similar P-Chloroacetophenone99-91-247 % similar

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

Same formula

5-Methoxy-N,N-dimethyltryptamine1019-45-0 2-Amino-N-cyclohexylbenzamide56814-11-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook