Cas no 23462-13-7 (3,9-Diazabicyclo[3.3.1]nonane,3-(phenylmethyl)-9-[2-(1-piperidinyl)ethyl]-, hydrochloride (1:2))

3,9-Diazabicyclo[3.3.1]nonane,3-(phenylmethyl)-9-[2-(1-piperidinyl)ethyl]-, hydrochloride (1:2) structure
23462-13-7 structure
Product Name:3,9-Diazabicyclo[3.3.1]nonane,3-(phenylmethyl)-9-[2-(1-piperidinyl)ethyl]-, hydrochloride (1:2)
CAS No:23462-13-7
MF:C21H35Cl2N3
MW:400.428703546524
CID:256966
PubChem ID:31914
Update Time:2025-04-19

3,9-Diazabicyclo[3.3.1]nonane,3-(phenylmethyl)-9-[2-(1-piperidinyl)ethyl]-, hydrochloride (1:2) Chemical and Physical Properties

Names and Identifiers

    • 3,9-Diazabicyclo[3.3.1]nonane,3-(phenylmethyl)-9-[2-(1-piperidinyl)ethyl]-, hydrochloride (1:2)
    • 3-benzyl-9-(2-piperidin-1-ium-1-ylethyl)-9-aza-3-azoniabicyclo[3.3.1]nonane,dichloride
    • 3,9-DIAZABICYCLO(3.3.1)NONANE, 3-BENZYL-9-(2-PIPERIDINOETHYL)-, DIHYDROCHLORIDE
    • 3-Benzyl-9-(2-piperidinoethyl)-3,9-diazabicyclo(3.3.1)nonane dihydrochloride
    • 23462-13-7
    • Piperidine, 1-(2-(3-benzyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl)-, dihydrochloride
    • Inchi: 1S/C21H33N3.2ClH/c1-3-8-19(9-4-1)16-23-17-20-10-7-11-21(18-23)24(20)15-14-22-12-5-2-6-13-22;;/h1,3-4,8-9,20-21H,2,5-7,10-18H2;2*1H
    • InChI Key: ZMZXIXVCGWFFFN-UHFFFAOYSA-N
    • SMILES: [Cl-].[Cl-].N1(CC[NH+]2CCCCC2)C2CCCC1C[NH+](CC1C=CC=CC=1)C2

Computed Properties

  • Exact Mass: 363.9471
  • Monoisotopic Mass: 399.220804
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 5
  • Complexity: 359
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 12.1

Experimental Properties

  • Boiling Point: 431.8°C at 760 mmHg
  • Flash Point: 212°C
  • PSA: 15.04

3,9-Diazabicyclo[3.3.1]nonane,3-(phenylmethyl)-9-[2-(1-piperidinyl)ethyl]-, hydrochloride (1:2) Related Literature

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