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113952-83-3 | Piperidine, 4,4'-(1,3-propanediyl)bis[1-benzoyl- (9CI)
CAS No: 113952-83-3 Catalog No: AG000A4V MDL No:
Product Description
Catalog Number:
AG000A4V
Chemical Name:
Piperidine, 4,4'-(1,3-propanediyl)bis[1-benzoyl- (9CI)
CAS Number:
113952-83-3
Molecular Formula:
C27H34N2O2
Molecular Weight:
418.5711
IUPAC Name:
[4-[3-(1-benzoylpiperidin-4-yl)propyl]piperidin-1-yl]-phenylmethanone
InChI:
InChI=1S/C27H34N2O2/c30-26(24-10-3-1-4-11-24)28-18-14-22(15-19-28)8-7-9-23-16-20-29(21-17-23)27(31)25-12-5-2-6-13-25/h1-6,10-13,22-23H,7-9,14-21H2
InChI Key:
KIHMFMPNMPURKP-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)N1CCC(CC1)CCCC1CCN(CC1)C(=O)c1ccccc1
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.262g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.581g/mol
Monoisotopic Mass:
418.262g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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