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87350-81-0 | Piperidine, 1,1',1''-(2-iodo-1,3,5-benzenetriyl)tris-
CAS No: 87350-81-0 Catalog No: AG004O2K MDL No:
Product Description
Catalog Number:
AG004O2K
Chemical Name:
Piperidine, 1,1',1''-(2-iodo-1,3,5-benzenetriyl)tris-
CAS Number:
87350-81-0
Molecular Formula:
C21H32IN3
Molecular Weight:
453.4033
IUPAC Name:
1-[2-iodo-3,5-di(piperidin-1-yl)phenyl]piperidine
InChI:
InChI=1S/C21H32IN3/c22-21-19(24-12-6-2-7-13-24)16-18(23-10-4-1-5-11-23)17-20(21)25-14-8-3-9-15-25/h16-17H,1-15H2
InChI Key:
MNNUUZTXSSFAGL-UHFFFAOYSA-N
SMILES:
Ic1c(cc(cc1N1CCCCC1)N1CCCCC1)N1CCCCC1
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.164g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
453.412g/mol
Monoisotopic Mass:
453.164g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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