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

Hazards

Danger
Corrosive (GHS05)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

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

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.

4-Benzylpiperazine hydrochloride110475-31-5Salt Benzylpiperazine dihydrochloride5321-63-1Salt 1-Benzylpiperazine2759-17-3

Similar compounds

1-Benzyl-1,4-diazepane4410-12-288 % 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 3-Benzyl-3,9-diaza-spiro[5.5]undecane189333-49-167 % similar 3-Methylbenzylpiperazine5321-48-265 % similar 1-((Pyridin-4-yl)methyl)piperazine62089-74-164 % similar 1-(4-Chlorobenzyl)piperazine23145-88-262 % 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-Benzyl-3-aminopyrrolidine18471-40-4 4-(Piperidin-1-yl)aniline2359-60-6 2-Mepp39512-51-1 1-(p-Tolyl)piperazine39593-08-3 2-(Piperidin-1-yl)aniline39643-31-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook