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155791-72-3 | 1,4'-Bipiperidine, 1',1'''-[1,4-phenylenebis(methylene)]bis- (9CI)
CAS No: 155791-72-3 Catalog No: AG001O7E MDL No:
Product Description
Catalog Number:
AG001O7E
Chemical Name:
1,4'-Bipiperidine, 1',1'''-[1,4-phenylenebis(methylene)]bis- (9CI)
CAS Number:
155791-72-3
Molecular Formula:
C28H46N4
Molecular Weight:
438.6916
IUPAC Name:
4-piperidin-1-yl-1-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
InChI:
InChI=1S/C28H46N4/c1-3-15-31(16-4-1)27-11-19-29(20-12-27)23-25-7-9-26(10-8-25)24-30-21-13-28(14-22-30)32-17-5-2-6-18-32/h7-10,27-28H,1-6,11-24H2
InChI Key:
DQHQOPCRLVKVLZ-UHFFFAOYSA-N
SMILES:
C1CCN(CC1)C1CCN(CC1)Cc1ccc(cc1)CN1CCC(CC1)N1CCCCC1
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.372g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.704g/mol
Monoisotopic Mass:
438.372g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
13A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Design and synthesis of RNA-specific groove-binding cations: implications for antiviral drug design. | Journal of medicinal chemistry 19940415 |
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