2-(4-Benzylpiperazin-1-yl)benzaldehyde

C18H20N2OCAS 112253-26-6280.37 g/mol

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NNO
AldehydeTertiary amine

Properties

Molecular formula
C18H20N2O
Molar mass
280.37 g/mol
Exact mass
280.1576 Da
logP
2.82Crippen estimate
Polar surface area
23.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

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

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Identifiers

CAS number
112253-26-6
SMILES
C1CN(CCN1CC2=CC=CC=C2)C3=CC=CC=C3C=O
InChIKey
BDEPGTDKVXMYQP-UHFFFAOYSA-N
InChI
InChI=1S/C18H20N2O/c21-15-17-8-4-5-9-18(17)20-12-10-19(11-13-20)14-16-6-2-1-3-7-16/h1-9,15H,10-14H2

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Names and synonyms

1 names
  • 2-(4-Benzylpiperazino)benzaldehyde

Work with 2-(4-Benzylpiperazin-1-yl)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)benzaldehyde34595-26-161 % similar 2-(4-Methylpiperazino)benzaldehyde85803-62-961 % similar 2-Morpholinobenzaldehyde58028-76-558 % similar 2-Piperazin-1-yl-benzaldehyde736991-52-958 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-553 % similar 1-Benzyl-4-phenylpiperazine3074-46-253 % similar 1-(Phenylmethyl)-4-piperidinecarboxaldehyde22065-85-648 % similar 4-(4-Benzylpiperazin-1-yl)aniline16154-69-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine1453-97-0 4-(4-Benzylpiperazin-1-yl)benzaldehyde166438-88-6

Elsewhere

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