Cas no 414879-57-5 (1-(4-Methoxybenzyl)-4-methylpiperazine)

1-(4-Methoxybenzyl)-4-methylpiperazine structure
414879-57-5 structure
Product Name:1-(4-Methoxybenzyl)-4-methylpiperazine
CAS No:414879-57-5
MF:C13H20N2O
MW:220.310703277588
CID:1035359
PubChem ID:792504
Update Time:2025-04-20

1-(4-Methoxybenzyl)-4-methylpiperazine Chemical and Physical Properties

Names and Identifiers

    • 1-(4-Methoxybenzyl)-4-methylpiperazine
    • 1-[(4-methoxyphenyl)methyl]-4-methylpiperazine
    • AC1LGCJQ
    • MolPort-002-112-507
    • Oprea1_750549
    • RL03604
    • STK114698
    • SR-01000201825-1
    • SR-01000201825
    • AKOS005399384
    • A850534
    • J-503340
    • DTXSID60355149
    • AB00077472-01
    • SCHEMBL12126812
    • 414879-57-5
    • Cambridge id 5261791
    • MDL: MFCD01466576
    • Inchi: 1S/C13H20N2O/c1-14-7-9-15(10-8-14)11-12-3-5-13(16-2)6-4-12/h3-6H,7-11H2,1-2H3
    • InChI Key: VRBZXMTXVNIWQC-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC(=CC=1)CN1CCN(C)CC1

Computed Properties

  • Exact Mass: 220.1577
  • Monoisotopic Mass: 220.157563266g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 194
  • 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: 1.5
  • Topological Polar Surface Area: 15.7?2

Experimental Properties

  • PSA: 15.71
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