chempirical

1-Methyl-4-(phenylmethyl)piperazine hydrochloride (1:1)

C12H19ClN2CAS 374898-00-7226.75 g/mol

Open in Covalent MOL file
NNHCl
Tertiary amine

Properties

Molecular formula
C12H19ClN2
Molar mass
226.75 g/mol
Exact mass
226.1237 Da
logP
1.86Crippen estimate
Polar surface area
6.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
374898-00-7
SMILES
CN1CCN(Cc2ccccc2)CC1.Cl
InChIKey
NSKWYRZISOURNW-UHFFFAOYSA-N
InChI
InChI=1S/C12H18N2.ClH/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;/h2-6H,7-11H2,1H3;1H

Weigh it out

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

Names and synonyms

4 names
  • Piperazine, 1-methyl-4-(phenylmethyl)-, hydrochloride (1:1)
  • Piperazine, 1-methyl-4-(phenylmethyl)-, monohydrochloride
  • 1-Benzyl-4-methyl-piperazine hydrochloride
  • 1-Benzyl-4-methylpiperazine hydrochloride

Work with 1-Methyl-4-(phenylmethyl)piperazine hydrochloride (1:1)

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-tetraazacyclododecane18084-64-565 % similar N-Benzylbis(2-chloroethyl)amine hydrochloride10429-82-059 % similar 4-Benzylpiperazine hydrochloride110475-31-559 % similar Benzylpiperazine dihydrochloride5321-63-159 % similar 4-[(4-Methyl-1-piperazinyl)methyl]benzoic acid dihydrochloride106261-49-856 % similar 4-(4-Methylpiperazinylmethyl)benzoyl chloride dihydrochloride106261-64-756 % similar N-(2-Chloroethyl)dibenzylamine hydrochloride55-43-655 % similar 4-Amino-1-benzylpiperidine dihydrochloride1205-72-754 % similar

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

Elsewhere

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