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Home > Pyridines > 823216-41-7
823216-41-7 | Piperazine, 1-(1-oxooctyl)-4-[4-[2-(4-pyridinyl)ethenyl]phenyl]-
CAS No: 823216-41-7 Catalog No: AG005EH1 MDL No:
Product Description
Catalog Number:
AG005EH1
Chemical Name:
Piperazine, 1-(1-oxooctyl)-4-[4-[2-(4-pyridinyl)ethenyl]phenyl]-
CAS Number:
823216-41-7
Molecular Formula:
C25H33N3O
Molecular Weight:
391.5490
IUPAC Name:
1-[4-[4-(2-pyridin-4-ylethenyl)phenyl]piperazin-1-yl]octan-1-one
InChI:
InChI=1S/C25H33N3O/c1-2-3-4-5-6-7-25(29)28-20-18-27(19-21-28)24-12-10-22(11-13-24)8-9-23-14-16-26-17-15-23/h8-17H,2-7,18-21H2,1H3
InChI Key:
JBEAMDHDQZMCLX-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)N1CCN(CC1)c1ccc(cc1)C=Cc1ccncc1
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.262g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.559g/mol
Monoisotopic Mass:
391.262g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
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