Cas no 493040-24-7 (Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2R,3R)-, compd. withrel-(3R,4R)-N,4-dimethyl-1-(phenylmethyl)-3-piperidinamine (1:2))

Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2R,3R)-, compd. withrel-(3R,4R)-N,4-dimethyl-1-(phenylmethyl)-3-piperidinamine (1:2) structure
493040-24-7 structure
Product Name:Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2R,3R)-, compd. withrel-(3R,4R)-N,4-dimethyl-1-(phenylmethyl)-3-piperidinamine (1:2)
CAS No:493040-24-7
MF:C14H23ClN2
MW:254.798822641373
CID:1519973
PubChem ID:66563720
Update Time:2025-04-21

Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2R,3R)-, compd. withrel-(3R,4R)-N,4-dimethyl-1-(phenylmethyl)-3-piperidinamine (1:2) Chemical and Physical Properties

Names and Identifiers

    • Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2R,3R)-, compd. withrel-(3R,4R)-N,4-dimethyl-1-(phenylmethyl)-3-piperidinamine (1:2)
    • (3R,4R)-1-benzyl-N,4-diMethylpiperidin-3-aMinehydrochloride
    • (3R,4R)-N,4-Dimethyl-1-(phenylmethyl)-3-piperidinamine hydrochloride
    • (3R,4R)-1-benzyl-N,4-diMethylpiperidin-3-aMine hydrochloride
    • (3R,4R)-N,4-Dimethyl-1-(phenylmethyl)-3-piperidinamine HCl
    • SCHEMBL22500017
    • 1820713-38-9
    • 493040-24-7
    • Inchi: 1S/C14H22N2.ClH/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13;/h3-7,12,14-15H,8-11H2,1-2H3;1H/t12-,14+;/m1./s1
    • InChI Key: FVRZQLQXDPJADE-OJMBIDBESA-N
    • SMILES: Cl.N1(CC2C=CC=CC=2)CC[C@@H](C)[C@H](C1)NC

Computed Properties

  • Exact Mass: 254.1549764g/mol
  • Monoisotopic Mass: 254.1549764g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 199
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 15.3?2
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