3-(4-Methyl-1-piperazinyl)benzenemethanamine

C₁₂H₁₉N₃CAS 672325-37-0205.30 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₉N₃
Molar mass: 205.30 g/mol
Exact mass: 205.1579 Da
logP: 0.90Crippen estimate
Polar surface area: 32.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

672325-37-0

SMILES

CN1CCN(c2cccc(CN)c2)CC1

InChIKey

VKTLTRIKVYJVOX-UHFFFAOYSA-N

InChI

InChI=1S/C12H19N3/c1-14-5-7-15(8-6-14)12-4-2-3-11(9-12)10-13/h2-4,9H,5-8,10,13H2,1H3

Weigh it out

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

Names and synonyms

4 names

Benzenemethanamine, 3-(4-methyl-1-piperazinyl)-
3-(4-Methylpiperazin-1-yl)benzylamine
1-[3-(4-Methylpiperazin-1-yl)phenyl]methanamine
[3-(4-Methylpiperazin-1-yl)phenyl]methanamine

Work with 3-(4-Methyl-1-piperazinyl)benzenemethanamine

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

3-(Dimethylamino)benzenemethanamine57678-46-362 % similar 3-(4-Methyl-1-piperazinyl)benzoic acid215309-01-649 % similar M-Xylylenediamine1477-55-048 % similar 3-Chlorobenzylamine4152-90-346 % similar 3-Methylbenzylamine100-81-244 % similar 3-Fluorobenzylamine100-82-342 % similar 3-Aminobenzylamine4403-70-742 % similar 3-Methoxybenzylamine5071-96-541 % similar

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

Same formula

4-(4-Ethyl-1-piperazinyl)benzenamine115619-01-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook