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

C₁₈H₂₀N₂OCAS 112253-26-6280.37 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

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-(1-Piperazinyl)benzaldehyde736991-52-958 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-553 % similar 1-(Phenylmethyl)-4-piperidinecarboxaldehyde22065-85-648 % similar 1-Benzylpiperidine2905-56-844 % similar 1-Benzyl-4-piperidone3612-20-243 % similar Tribenzylamine620-40-642 % similar 2,2′-[(Phenylmethyl)imino]bis[ethanol]101-32-642 % similar 1-Benzylpiperazine2759-28-642 % 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

Elsewhere

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