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Home > Fluorides > 130549-78-9
130549-78-9 | 1-Butanone, 1-(4-fluorophenyl)-4-[3-methyl-4-(1-oxopropoxy)-4-phenyl-1-piperidinyl]-, (3S-cis)- (9CI)
CAS No: 130549-78-9 Catalog No: AG000UMJ MDL No:
Product Description
Catalog Number:
AG000UMJ
Chemical Name:
1-Butanone, 1-(4-fluorophenyl)-4-[3-methyl-4-(1-oxopropoxy)-4-phenyl-1-piperidinyl]-, (3S-cis)- (9CI)
CAS Number:
130549-78-9
Molecular Formula:
C25H30FNO3
Molecular Weight:
411.5090
IUPAC Name:
[1-[4-(4-fluorophenyl)-4-oxobutyl]-3-methyl-4-phenylpiperidin-4-yl] propanoate
InChI:
InChI=1S/C25H30FNO3/c1-3-24(29)30-25(21-8-5-4-6-9-21)15-17-27(18-19(25)2)16-7-10-23(28)20-11-13-22(26)14-12-20/h4-6,8-9,11-14,19H,3,7,10,15-18H2,1-2H3
InChI Key:
REXOMGWVBIKJKZ-UHFFFAOYSA-N
SMILES:
CCC(=O)OC1(CCN(CC1C)CCCC(=O)c1ccc(cc1)F)c1ccccc1
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.221g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.517g/mol
Monoisotopic Mass:
411.221g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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