Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Others
Piperidine, 3-[(3-bromo-2-thienyl)methyl]- structure
Piperidine, 3-[(3-bromo-2-thienyl)methyl]- structure

Piperidine, 3-[(3-bromo-2-thienyl)methyl]-

Iupac Name:6,7-dimethoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine;2,2,2-trifluoroacetic acid
CAS No.: 1620401-83-3
Molecular Weight:527.5796496
Modify Date.: 2021-12-18 06:17
1. Names and Identifiers
1.1 Name
Piperidine, 3-[(3-bromo-2-thienyl)methyl]-
1.2 CAS No.
1620401-83-3
1.3 CID
92044361
1.4 Molecular Formula
C12H15BrFN (isomer)
1.5 Inchi
InChI=1S/C23H35N5O2.C2HF3O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27;3-2(4,5)1(6)7/h16-17H,3-15H2,1-2H3,(H,24,25,26);(H,6,7)
1.6 InChkey
NRGGPYZTHNAVFM-UHFFFAOYSA-N
1.7 Canonical Smiles
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCC3)NCCCCCN4CCCC4)OC.C(=O)(C(F)(F)F)O
1.8 Isomers Smiles
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCC3)NCCCCCN4CCCC4)OC.C(=O)(C(F)(F)F)O
2. Computational chemical data
  • Molecular Weight: 527.5796496g/mol
  • Molecular Formula: C12H15BrFN
  • Compound Is Canonicalized: True
  • XLogP3-AA:
  • Exact Mass: 527.27193913
  • Monoisotopic Mass: 527.27193913
  • Complexity: 581
  • Rotatable Bond Count: 10
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 12
  • Topological Polar Surface Area: 100
  • Heavy Atom Count: 37
  • 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
3. Recommended Suppliers
Global2SuppliersView all >>
  • Products:API,Pharmaceutical intermediates, food additives, plant extracts,cosmetics,fine chemicals,reagents
  • Tel:+86-571-88216897
UNC0379 trifluoroacetate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/gram
  • Time: 2022/04/24
Inquire
  • Tel:86-21-58998985
UNC0379 (trifluoroacetate)
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire