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Home > Fluorides > 1286274-91-6
1286274-91-6 | tert-Butyl 1-(5-fluoro-2-methoxybenzyl)piperidin-4-ylcarbamate
CAS No: 1286274-91-6 Catalog No: AG01F667 MDL No:
Product Description
Catalog Number:
AG01F667
Chemical Name:
tert-Butyl 1-(5-fluoro-2-methoxybenzyl)piperidin-4-ylcarbamate
CAS Number:
1286274-91-6
Molecular Formula:
C18H27FN2O3
Molecular Weight:
338.4170
IUPAC Name:
tert-butyl N-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]carbamate
InChI:
InChI=1S/C18H27FN2O3/c1-18(2,3)24-17(22)20-15-7-9-21(10-8-15)12-13-11-14(19)5-6-16(13)23-4/h5-6,11,15H,7-10,12H2,1-4H3,(H,20,22)
InChI Key:
PAADXCOOUKLUQB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CN1CCC(CC1)NC(=O)OC(C)(C)C)F
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.201g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.423g/mol
Monoisotopic Mass:
338.201g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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