4-Benzylpiperazine hydrochloride

C₁₁H₁₇ClN₂CAS 110475-31-5212.72 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₇ClN₂
Molar mass: 212.72 g/mol
Exact mass: 212.1080 Da
Melting point: 167–168 °C
logP: 1.51Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

110475-31-5

SMILES

Cl.c1ccc(CN2CCNCC2)cc1

InChIKey

HRSFWIYFGGDGQO-UHFFFAOYSA-N

InChI

InChI=1S/C11H16N2.ClH/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;/h1-5,12H,6-10H2;1H

Weigh it out

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

Names and synonyms

3 names

Piperazine, 1-(phenylmethyl)-, hydrochloride (1:1)
Piperazine, 1-benzyl-, hydrochloride
Piperazine, 1-(phenylmethyl)-, monohydrochloride

Work with 4-Benzylpiperazine hydrochloride

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

Benzylpiperazine dihydrochloride5321-63-1100 % similar 1-Benzylpiperazine2759-28-688 % similar 1,1′-[1,4-Phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane] hydrochloride (1:8)155148-31-571 % similar 1-(2-Phenylethyl)piperazine5321-49-362 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-562 % similar N-Benzylbis(2-chloroethyl)amine hydrochloride10429-82-061 % similar Plerixafor110078-46-161 % similar 1-Methyl-4-(phenylmethyl)piperazine hydrochloride (1:1)374898-00-759 % similar

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

Elsewhere

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