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

C₁₈H₂₀N₂OCAS 166438-88-6280.37 g/mol

Open in Covalent MOL file

Aldehyde Tertiary 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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Identifiers

CAS number

166438-88-6

SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)C=O

InChIKey

JDWZUVQRUPAVPK-UHFFFAOYSA-N

InChI

InChI=1S/C18H20N2O/c21-15-17-6-8-18(9-7-17)20-12-10-19(11-13-20)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2

Weigh it out

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

Work with 4-(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

1-Benzyl-4-phenylpiperazine3074-46-267 % similar 4-[Ethyl(phenylmethyl)amino]benzaldehyde67676-47-564 % similar 4-(4-Benzylpiperazin-1-yl)aniline16154-69-161 % similar 4-(1-Pyrrolidinyl)benzaldehyde51980-54-257 % similar 4-(Piperidin-1-yl)benzaldehyde10338-57-556 % similar 4-(4-Methyl-1-piperazinyl)benzaldehyde27913-99-155 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-553 % similar 4-Morpholinobenzaldehyde1204-86-053 % similar

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

Same formula

2-(4-Benzylpiperazin-1-yl)benzaldehyde112253-26-6 N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine1453-97-0

Elsewhere

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