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Home> Hot Product Listed B   > BKPGWOXLKZUOBV-UHFFFAOYSA-N
1185297-31-7 structure

BKPGWOXLKZUOBV-UHFFFAOYSA-N

Iupac Name:4-(2,4-dimethoxyphenyl)piperidine;hydrochloride
CAS No.:1185297-31-7
Molecular Weight:257.758
Molecular Formula:C13H20ClNO2 (isomer)
Names and Identifiers
Synonyms

1185297-31-7 4-(2,4-dimethoxyphenyl)piperidine hydrochloride AK515865 AKOS015846527 CTK6J9448 TR-045936

Inchi
InChI=1S/C13H19NO2.ClH/c1-15-11-3-4-12(13(9-11)16-2)10-5-7-14-8-6-10;/h3-4,9-10,14H,5-8H2,1-2H3;1H
InChkey
BKPGWOXLKZUOBV-UHFFFAOYSA-N
Canonical Smiles
COC1=CC(=C(C=C1)C2CCNCC2)OC.Cl
Isomers Smiles
COC1=CC(=C(C=C1)C2CCNCC2)OC.Cl
Computational chemical data
  • Molecular Weight:257.758g/mol
  • Molecular Formula:C13H20ClNO2
  • Compound Is Canonicalized:True
  • Exact Mass:257.118
  • Monoisotopic Mass:257.118
  • Complexity:204
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:30.5A^2
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceByMAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgAQAAAADQTBmAYyBoLABACA AiBCAAACCAAgIAAIiIAOCIgMJyKEsRqEMCAl0BWIqAeQ8P4OoAAACAAIAABAAAAQABAAAAAAAAAA AA==
 
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