Cas no 626208-15-9 (3-chloro-4-(4-methylpiperidin-1-yl)aniline)

3-Chloro-4-(4-methylpiperidin-1-yl)aniline is a substituted aniline derivative featuring a chloro substituent at the 3-position and a 4-methylpiperidin-1-yl group at the 4-position of the benzene ring. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its structural motif, combining an aromatic amine with a piperidine moiety, enhances its utility in constructing biologically active molecules. The chloro group provides a reactive site for further functionalization, while the methylpiperidine moiety contributes to steric and electronic modulation. This compound is valued for its synthetic flexibility and potential applications in medicinal chemistry research.
3-chloro-4-(4-methylpiperidin-1-yl)aniline structure
626208-15-9 structure
Product Name:3-chloro-4-(4-methylpiperidin-1-yl)aniline
CAS No:626208-15-9
MF:C12H17ClN2
MW:224.729781866074
MDL:MFCD03821862
CID:1638823
PubChem ID:937604
Update Time:2025-06-09

3-chloro-4-(4-methylpiperidin-1-yl)aniline Chemical and Physical Properties

Names and Identifiers

    • Benzenamine, 3-chloro-4-(4-methyl-1-piperidinyl)-
    • 3-Chloro-4-(4-methyl-piperidin-1-yl)-phenylamine
    • 3-chloro-4-(4-methylpiperidin-1-yl)aniline
    • AKOS030222248
    • VS-04242
    • SMR000280648
    • CS-0147294
    • MLS000710881
    • BAB20815
    • DTXSID401327873
    • E81908
    • HMS3360G08
    • 626208-15-9
    • EN300-232271
    • 3-Chloro-4-(4-methyl-piperidin-1-yl)-phenylamine, AldrichCPR
    • 3-CHLORO-4-(4-METHYLPIPERIDINO)ANILINE
    • STK141996
    • JHA
    • HMS2639E18
    • BBL014223
    • CHEMBL1300875
    • MDL: MFCD03821862
    • Inchi: 1S/C12H17ClN2/c1-9-4-6-15(7-5-9)12-3-2-10(14)8-11(12)13/h2-3,8-9H,4-7,14H2,1H3
    • InChI Key: KDGRQSQBUKTTMH-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=CC=1N1CCC(C)CC1)N

Computed Properties

  • Exact Mass: 224.10821
  • Monoisotopic Mass: 224.1080262g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 202
  • 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: 3.3
  • Topological Polar Surface Area: 29.3?2

Experimental Properties

  • PSA: 29.26

3-chloro-4-(4-methylpiperidin-1-yl)aniline Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

3-chloro-4-(4-methylpiperidin-1-yl)aniline Pricemore >>

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