1-(2-Aminoethyl)-4-benzylpiperazine

C₁₃H₂₁N₃CAS 4553-21-3219.33 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₃H₂₁N₃
Molar mass: 219.33 g/mol
Exact mass: 219.1735 Da
logP: 0.76Crippen estimate
Polar surface area: 32.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

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

Identifiers

CAS number

4553-21-3

SMILES

C1CN(CCN1CCN)CC2=CC=CC=C2

InChIKey

CXEJMFLWEVKOGS-UHFFFAOYSA-N

InChI

InChI=1S/C13H21N3/c14-6-7-15-8-10-16(11-9-15)12-13-4-2-1-3-5-13/h1-5H,6-12,14H2

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Names and synonyms

1 names

2-(4-Benzylpiperazin-1-yl)ethan-1-amine

Work with 1-(2-Aminoethyl)-4-benzylpiperazine

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

1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-571 % similar 1-Benzylpiperidine2905-56-857 % similar 1-Benzyl-4-phenylpiperazine3074-46-257 % similar Tribenzylamine620-40-656 % similar 2,2′-[(Phenylmethyl)imino]bis[ethanol]101-32-653 % similar 1-Benzylpiperazine2759-17-353 % similar 1-Benzylpiperazine2759-28-653 % similar 4-Amino-1-benzylpiperidine50541-93-053 % similar

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

Elsewhere

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