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Piperazine,1-(4-chlorophenyl)-4-[2-(3,4-dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)ethyl]-, dihydrochloride structure
Piperazine,1-(4-chlorophenyl)-4-[2-(3,4-dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)ethyl]-, dihydrochloride structure

Piperazine,1-(4-chlorophenyl)-4-[2-(3,4-dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)ethyl]-, dihydrochloride

Iupac Name:2-chloro-4-methylpyridine-3-carboxamide
CAS No.:152362-01-1
Molecular Weight:170.60
1. Names and Identifiers
1.1 Name
Piperazine,1-(4-chlorophenyl)-4-[2-(3,4-dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)ethyl]-, dihydrochloride
1.2 CAS No.
152362-01-1
1.3 CID
10942886
1.4 Molecular Formula
C10H19CL2O4P (isomer)
1.5 Inchi
InChI=1S/C7H7ClN2O/c1-4-2-3-10-6(8)5(4)7(9)11/h2-3H,1H3,(H2,9,11)
1.6 InChkey
HMUCCFLZRSIZGK-UHFFFAOYSA-N
1.7 Canonical Smiles
CC1=C(C(=NC=C1)Cl)C(=O)N
1.8 Isomers Smiles
CC1=C(C(=NC=C1)Cl)C(=O)N
2. 3D Conformer
3. Computational chemical data
  • Molecular Weight:170.60g/mol
  • Molecular Formula:C10H19CL2O4P
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.1
  • Exact Mass:170.0246905
  • Monoisotopic Mass:170.0246905
  • Complexity:163
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:56
  • Heavy Atom Count:11
  • 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:1
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