chempirical

1-Benzylpiperazine

C11H16N2CAS 2759-28-6176.26 g/mol

Open in Covalent MOL file
NNH
Secondary amineTertiary amine

Properties

Molecular formula
C11H16N2
Molar mass
176.26 g/mol
Exact mass
176.1313 Da
Melting point
236–237 °C
Boiling point
128–135 °C (at 6 Torr)
logP
1.09Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
2759-28-6
SMILES
c1ccc(CN2CCNCC2)cc1
InChIKey
IQXXEPZFOOTTBA-UHFFFAOYSA-N
InChI
InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2

Weigh it out

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

Names and synonyms

10 names
  • Piperazine, 1-(phenylmethyl)-
  • Piperazine, 1-benzyl-
  • 1-(Phenylmethyl)piperazine
  • 4-Benzylpiperazine
  • Benzylpiperazine
  • N-Benzylpiperazine
  • N-(Phenylmethyl)piperazine
  • NSC 40889
  • NSC 44502
  • 4-(Phenylmethyl)piperazine

Work with 1-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

4-Benzylpiperazine hydrochloride110475-31-588 % similar Benzylpiperazine dihydrochloride5321-63-188 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-570 % similar 1-(2-Phenylethyl)piperazine5321-49-369 % similar Plerixafor110078-46-168 % similar 1-(3-Methylbenzyl)piperazine5321-48-265 % similar 1-Benzylpiperidine2905-56-862 % similar 1,1′-[1,4-Phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane] hydrochloride (1:8)155148-31-561 % similar

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

Same formula

(3S)-(+)-1-Benzyl-3-aminopyrrolidine114715-38-7 (3R)-1-Benzylpyrrolidin-3-amine114715-39-8 1-(2-Methylphenyl)piperazine39512-51-1 1-(4-Methylphenyl)piperazine39593-08-3 1-(3-Methylphenyl)piperazine41186-03-2 1-Methyl-3-phenylpiperazine5271-27-2 (2S)-N-Phenyl-2-pyrrolidinemethanamine64030-44-0

Elsewhere

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