Benzylpiperazine dihydrochloride

C11H18Cl2N2CAS 5321-63-1249.18 g/mol

Open in Covalent MOL file
HClHClNNH
Secondary amineTertiary amine

Properties

Molecular formula
C11H18Cl2N2
Molar mass
249.18 g/mol
Exact mass
248.0847 Da
Melting point
253 °C
logP
1.94Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
5321-63-1
SMILES
Cl.Cl.c1ccc(CN2CCNCC2)cc1
InChIKey
BBUJLUKPBBBXMU-UHFFFAOYSA-N
InChI
InChI=1S/C11H16N2.2ClH/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;;/h1-5,12H,6-10H2;2*1H

Weigh it out

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

Names and synonyms

5 names
  • Piperazine, 1-(phenylmethyl)-, hydrochloride (1:2)
  • Piperazine, 1-(phenylmethyl)-, dihydrochloride
  • 1-Benzylpiperazine dihydrochloride
  • N-Benzylpiperazine dihydrochloride
  • Piperazine, 1-benzyl-, dihydrochloride

Work with Benzylpiperazine dihydrochloride

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 4-Benzylpiperazine hydrochloride110475-31-5Salt

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

1-(3-Methylphenyl)piperazine dihydrochloride13078-13-2 (S)-3-Amino-1-benzylpyrrolidine dihydrochloride131852-54-5

Elsewhere

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