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1286272-88-5

1286272-88-5 | tert-Butyl 1-(3-fluoro-4-methoxybenzyl)piperidin-4-ylcarbamate

CAS No: 1286272-88-5 Catalog No: AG01F65W MDL No:

Product Description

Catalog Number:
AG01F65W
Chemical Name:
tert-Butyl 1-(3-fluoro-4-methoxybenzyl)piperidin-4-ylcarbamate
CAS Number:
1286272-88-5
Molecular Formula:
C18H27FN2O3
Molecular Weight:
338.4170
IUPAC Name:
tert-butyl N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]carbamate
InChI:
InChI=1S/C18H27FN2O3/c1-18(2,3)24-17(22)20-14-7-9-21(10-8-14)12-13-5-6-16(23-4)15(19)11-13/h5-6,11,14H,7-10,12H2,1-4H3,(H,20,22)
InChI Key:
XTNBPBZRSGMYQC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1F)CN1CCC(CC1)NC(=O)OC(C)(C)C

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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