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113952-79-7 | Piperidine, 4,4'-(1,3-propanediyl)bis[1-(4-methylbenzoyl)- (9CI)
CAS No: 113952-79-7 Catalog No: AG000A4W MDL No:
Product Description
Catalog Number:
AG000A4W
Chemical Name:
Piperidine, 4,4'-(1,3-propanediyl)bis[1-(4-methylbenzoyl)- (9CI)
CAS Number:
113952-79-7
Molecular Formula:
C29H38N2O2
Molecular Weight:
446.6242
IUPAC Name:
[4-[3-[1-(4-methylbenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(4-methylphenyl)methanone
InChI:
InChI=1S/C29H38N2O2/c1-22-6-10-26(11-7-22)28(32)30-18-14-24(15-19-30)4-3-5-25-16-20-31(21-17-25)29(33)27-12-8-23(2)9-13-27/h6-13,24-25H,3-5,14-21H2,1-2H3
InChI Key:
DLTBOIGCADTVIF-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C)N1CCC(CC1)CCCC1CCN(CC1)C(=O)c1ccc(cc1)C
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.293g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.635g/mol
Monoisotopic Mass:
446.293g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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