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Home > Fluorides > 1286274-90-5
1286274-90-5 | tert-Butyl 1-(2,5-difluorobenzyl)piperidin-4-ylcarbamate
CAS No: 1286274-90-5 Catalog No: AG01F7GJ MDL No:
Product Description
Catalog Number:
AG01F7GJ
Chemical Name:
tert-Butyl 1-(2,5-difluorobenzyl)piperidin-4-ylcarbamate
CAS Number:
1286274-90-5
Molecular Formula:
C17H24F2N2O2
Molecular Weight:
326.3815
IUPAC Name:
tert-butyl N-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]carbamate
InChI:
InChI=1S/C17H24F2N2O2/c1-17(2,3)23-16(22)20-14-6-8-21(9-7-14)11-12-10-13(18)4-5-15(12)19/h4-5,10,14H,6-9,11H2,1-3H3,(H,20,22)
InChI Key:
JOUSNKMUGZAWRU-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)Cc1cc(F)ccc1F
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.181g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.388g/mol
Monoisotopic Mass:
326.181g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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