chempirical

1-(4-Methoxybenzoyl)-piperazine

C12H16N2O2CAS 94747-49-6220.27 g/mol

Open in Covalent MOL file
OONNH
AmideEtherSecondary amine

Properties

Molecular formula
C12H16N2O2
Molar mass
220.27 g/mol
Exact mass
220.1212 Da
logP
0.74Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
94747-49-6
SMILES
COC1=CC=C(C=C1)C(=O)N2CCNCC2
InChIKey
AWNXKUKDGIDDBE-UHFFFAOYSA-N
InChI
InChI=1S/C12H16N2O2/c1-16-11-4-2-10(3-5-11)12(15)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3

Weigh it out

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Work with 1-(4-Methoxybenzoyl)-piperazine

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-Benzoylpiperazine13754-38-663 % similar Benzoylpiperazine hydrochloride56227-55-558 % similar 1-(4-Nitrobenzoyl)piperazine72141-41-455 % similar Aniracetam72432-10-155 % similar 1-(4-Methoxyphenyl)piperazine38212-30-554 % similar 1-((4-Methoxyphenyl)methyl)piperazine21867-69-651 % similar N-(4-Methoxyphenyl)piperazine dihydrochloride38869-47-550 % similar 1-(4-Methoxyphenyl)piperazine hydrochloride84145-43-750 % similar

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

Same formula

(S)-1-Cbz-3-aminopyrrolidine122536-72-5 Phenylmethyl (3R)-3-amino-1-pyrrolidinecarboxylate122536-73-6 3-Amino-1-benzylpyrrolidine-3-carboxylic acid145602-87-5 (S)-3-N-Cbz-aminopyrrolidine176970-12-0 Phenylmethyl 3-amino-1-pyrrolidinecarboxylate185057-50-5 3-(4-Methyl-1-piperazinyl)benzoic acid215309-01-6 Benzyl piperazine-1-carboxylate31166-44-6 1-Piperonylpiperazine32231-06-4

Elsewhere

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