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79692-15-2 | 1-(1,4'-bipiperidin-1'-yl)hexadecan-1-one
CAS No: 79692-15-2 Catalog No: AG00579D MDL No:
Product Description
Catalog Number:
AG00579D
Chemical Name:
1-(1,4'-bipiperidin-1'-yl)hexadecan-1-one
CAS Number:
79692-15-2
Molecular Formula:
C26H50N2O
Molecular Weight:
406.6880
IUPAC Name:
1-(4-piperidin-1-ylpiperidin-1-yl)hexadecan-1-one
InChI:
InChI=1S/C26H50N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-26(29)28-23-19-25(20-24-28)27-21-16-14-17-22-27/h25H,2-24H2,1H3
InChI Key:
IXQBPYINTIKETF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)N1CCC(CC1)N1CCCCC1
NSC Number:
145412
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.392g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.699g/mol
Monoisotopic Mass:
406.392g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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