chempirical

2-(4-Methylpiperazino)benzaldehyde

C12H16N2OCAS 85803-62-9204.27 g/mol

Open in Covalent MOL file
NNO
AldehydeTertiary amine

Properties

Molecular formula
C12H16N2O
Molar mass
204.27 g/mol
Exact mass
204.1263 Da
logP
1.25Crippen estimate
Polar surface area
23.6 Ų
H-bond donors / acceptors
0 / 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
85803-62-9
SMILES
CN1CCN(CC1)C2=CC=CC=C2C=O
InChIKey
GSRYZPWIWYYROI-UHFFFAOYSA-N
InChI
InChI=1S/C12H16N2O/c1-13-6-8-14(9-7-13)12-5-3-2-4-11(12)10-15/h2-5,10H,6-9H2,1H3

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Names and synonyms

1 names
  • 2-(4-Methylpiperazin-1-yl)benzaldehyde

Work with 2-(4-Methylpiperazino)benzaldehyde

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

2-(Piperidin-1-yl)benzaldehyde34595-26-167 % similar 2-Morpholinobenzaldehyde58028-76-563 % similar 2-(1-Piperazinyl)benzaldehyde736991-52-963 % similar 2-(4-Benzylpiperazin-1-yl)benzaldehyde112253-26-661 % similar 2-(4-Methylpiperazin-1-yl)aniline180605-36-153 % similar (2-(4-Methylpiperazin-1-yl)phenyl)methanol123987-12-250 % similar Phthalaldehyde643-79-843 % similar 2-Methylbenzaldehyde529-20-440 % similar

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

Same formula

5-Methoxy-α-methyltryptamine1137-04-8 1-Benzyl-pyrrolidine-3-carboxylic acid amide115687-29-1 3-[(2-Hydroxyethyl)(3-methylphenyl)amino]propanenitrile119-95-9 5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine16620-52-3 4-(4-Methyl-1-piperazinyl)benzaldehyde27913-99-1 N-4-Piperidinylbenzamide33953-37-6 1-Acetyl-6-amino-3,3-dimethylindoline453562-71-5 (-)-N-Methylcytisine486-86-2

Elsewhere

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