4-(4-Methyl-1-piperazinyl)benzaldehyde

C₁₂H₁₆N₂OCAS 27913-99-1204.27 g/mol

Open in Covalent MOL file

Aldehyde Tertiary amine

Properties

Molecular formula: C₁₂H₁₆N₂O
Molar mass: 204.27 g/mol
Exact mass: 204.1263 Da
Melting point: 58–60 °C
logP: 1.25Crippen estimate
Polar surface area: 23.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

27913-99-1

SMILES

CN1CCN(c2ccc(C=O)cc2)CC1

InChIKey

PFODEVGLOVUVHS-UHFFFAOYSA-N

InChI

InChI=1S/C12H16N2O/c1-13-6-8-14(9-7-13)12-4-2-11(10-15)3-5-12/h2-5,10H,6-9H2,1H3

Weigh it out

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

Names and synonyms

6 names

Benzaldehyde, 4-(4-methyl-1-piperazinyl)-
Benzaldehyde, p-(4-methyl-1-piperazinyl)-
4-(4-Methylpiperazino)benzaldehyde
4-(4-Methylpiperazin-1-yl)benzenecarboxaldehyde
1-(4-Formylphenyl)-4-methylpiperazine
4-(4-Methylpiperazin-1-yl)benzaldehyde

Work with 4-(4-Methyl-1-piperazinyl)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

4-(1-Pyrrolidinyl)benzaldehyde51980-54-267 % similar 4-(Piperidin-1-yl)benzaldehyde10338-57-565 % similar 4-Morpholinobenzaldehyde1204-86-061 % similar 4-(Diethylamino)benzaldehyde120-21-859 % similar 4-(4-Benzylpiperazin-1-yl)benzaldehyde166438-88-655 % similar para-Dimethylaminobenzaldehyde100-10-755 % similar 4-(4-Methylpiperazin-1-yl)aniline16153-81-455 % similar p-((2-Chloroethyl)ethylamino)benzaldehyde2643-07-454 % 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 N-4-Piperidylbenzamide33953-37-6 1-Acetyl-6-amino-3,3-dimethylindoline453562-71-5 (-)-N-Methylcytisine486-86-2 1-(4-Acetylphenyl)piperazine51639-48-6

Elsewhere

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