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Home > Fluorides > 1286263-97-5
1286263-97-5 | tert-Butyl 1-(3-fluoro-5-methylbenzyl)piperidin-4-ylcarbamate
CAS No: 1286263-97-5 Catalog No: AG01F6E6 MDL No:
Product Description
Catalog Number:
AG01F6E6
Chemical Name:
tert-Butyl 1-(3-fluoro-5-methylbenzyl)piperidin-4-ylcarbamate
CAS Number:
1286263-97-5
Molecular Formula:
C18H27FN2O2
Molecular Weight:
322.4176
IUPAC Name:
tert-butyl N-[1-[(3-fluoro-5-methylphenyl)methyl]piperidin-4-yl]carbamate
InChI:
InChI=1S/C18H27FN2O2/c1-13-9-14(11-15(19)10-13)12-21-7-5-16(6-8-21)20-17(22)23-18(2,3)4/h9-11,16H,5-8,12H2,1-4H3,(H,20,22)
InChI Key:
FRZKMQIHKDWXKA-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)Cc1cc(C)cc(c1)F
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.206g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.424g/mol
Monoisotopic Mass:
322.206g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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