4-Benzylpiperazine hydrochloride

C11H17ClN2CAS 110475-31-5212.72 g/mol

Open in Covalent MOL file
HClNNH
Secondary amineTertiary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

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

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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

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Names and synonyms

4 names
  • Piperazine, 1-(phenylmethyl)-, hydrochloride (1:1)
  • Piperazine, 1-benzyl-, hydrochloride
  • Piperazine, 1-(phenylmethyl)-, monohydrochloride
  • 1-Benzylpiperazine hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Benzylpiperazine2759-28-6Free base 1-Benzylpiperazine2759-17-3Free base Benzylpiperazine dihydrochloride5321-63-1Salt

Similar compounds

1-Benzyl-1,4-diazepane4410-12-279 % 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 3-Benzyl-3,9-diaza-spiro[5.5]undecane189333-49-161 % 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

Same formula

N-(2-Methylphenyl)piperazine hydrochloride70849-60-4

Elsewhere

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