Cas no 5979-16-8 (1-(4-bromobenzyl)-4-(pyridin-2-ylmethyl)piperazine)

1-(4-bromobenzyl)-4-(pyridin-2-ylmethyl)piperazine structure
5979-16-8 structure
Product Name:1-(4-bromobenzyl)-4-(pyridin-2-ylmethyl)piperazine
CAS No:5979-16-8
MF:C17H20BrN3
MW:346.264802932739
CID:1622484
PubChem ID:751073
Update Time:2025-04-21

1-(4-bromobenzyl)-4-(pyridin-2-ylmethyl)piperazine Chemical and Physical Properties

Names and Identifiers

    • 1-(4-bromobenzyl)-4-(pyridin-2-ylmethyl)piperazine
    • 1-(4-Bromo-benzyl)-4-pyridin-2-ylmethyl-piperazine
    • piperazine, 1-[(4-bromophenyl)methyl]-4-(2-pyridinylmethyl)-
    • 1-(4-bromobenzyl)-4-(2-pyridinylmethyl)piperazine
    • BIM-0039614.P001
    • AKOS000552104
    • STK232575
    • 1-[(4-bromophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
    • Oprea1_347491
    • CBMicro_039468
    • 5979-16-8
    • EU-0080096
    • Oprea1_068443
    • 1-[(4-Bromophenyl)methyl]-4-[(pyridin-2-yl)methyl]piperazine
    • DTXSID10975199
    • Inchi： 1S/C17H20BrN3/c18-16-6-4-15(5-7-16)13-20-9-11-21(12-10-20)14-17-3-1-2-8-19-17/h1-8H,9-14H2
    • InChI Key： CKIYIAMDUUCBGO-UHFFFAOYSA-N
    • SMILES： BrC1C=CC(=CC=1)CN1CCN(CC2C=CC=CN=2)CC1

Computed Properties

  • Exact Mass: 345.0842
  • Monoisotopic Mass: 345.08406g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 296
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 19.4?2

Experimental Properties

  • PSA: 19.37

1-(4-bromobenzyl)-4-(pyridin-2-ylmethyl)piperazine Related Literature

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