Cas no 144055-26-5 (Benzoic acid,2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-, methyl ester)

Benzoic acid,2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-, methyl ester structure
144055-26-5 structure
Product Name:Benzoic acid,2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-, methyl ester
CAS No:144055-26-5
MF:C20H24N2O2
MW:324.416765213013
CID:218551
PubChem ID:3072786
Update Time:2025-04-19

Benzoic acid,2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-, methyl ester
    • methyl 2-[(4-benzylpiperazin-1-yl)methyl]benzoate
    • Benzoic acid, 2-((4-(phenylmethyl)-1-piperazinyl)methyl)-, methyl ester
    • Methyl 2-((4-(phenylmethyl)-1-piperazinyl)methyl)benzoate
    • 144055-26-5
    • SCHEMBL9616882
    • DTXSID50162607
    • Inchi： 1S/C20H24N2O2/c1-24-20(23)19-10-6-5-9-18(19)16-22-13-11-21(12-14-22)15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
    • InChI Key： MYPGWNLQXWVQBW-UHFFFAOYSA-N
    • SMILES： O(C)C(C1C=CC=CC=1CN1CCN(CC2C=CC=CC=2)CC1)=O

Computed Properties

  • Exact Mass: 324.18392
  • Monoisotopic Mass: 324.183778013g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 6
  • Complexity: 387
  • 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: 2.9
  • Topological Polar Surface Area: 32.8?2

Experimental Properties

  • PSA: 32.78

Benzoic acid,2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-, methyl ester Related Literature

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