Cas no 202991-86-4 (1H-1,4-Diazepine, hexahydro-1-methyl-4-(4-piperidinyl)-)

1H-1,4-Diazepine, hexahydro-1-methyl-4-(4-piperidinyl)- structure
202991-86-4 structure
Product Name:1H-1,4-Diazepine, hexahydro-1-methyl-4-(4-piperidinyl)-
CAS No:202991-86-4
MF:C11H23N3
MW:197.320422410965
CID:1395908
PubChem ID:18321176
Update Time:2025-04-20

1H-1,4-Diazepine, hexahydro-1-methyl-4-(4-piperidinyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-1,4-Diazepine, hexahydro-1-methyl-4-(4-piperidinyl)-
    • Hexahydro-1-methyl-4-(4-piperidinyl)-1H-1,4-diazepine
    • Hexahydro-1-methyl-4-(4-piperidinyl)-1H-1 4-diazepine
    • 1-methyl-4-piperidin-4-yl-[1,4]diazepan
    • 1-methyl-4-(piperidin-4-yl)-1,4-diazepane
    • HFDLTQWWTKBNFG-UHFFFAOYSA-N
    • 202991-86-4
    • SCHEMBL3278726
    • Hexahydro-1-methyl-4-(4 -piperidinyl)-1H-1,4-diazepine
    • Inchi: 1S/C11H23N3/c1-13-7-2-8-14(10-9-13)11-3-5-12-6-4-11/h11-12H,2-10H2,1H3
    • InChI Key: HFDLTQWWTKBNFG-UHFFFAOYSA-N
    • SMILES: N1(CCN(C)CCC1)C1CCNCC1

Computed Properties

  • Exact Mass: 197.18939
  • Monoisotopic Mass: 197.189197746g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 166
  • 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: 0.6
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • PSA: 18.51
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