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Home > Bromides > 1289385-81-4
1289385-81-4 | (6'-Bromo-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-3-yl)-methyl-carbamic acid tert-butyl ester
CAS No: 1289385-81-4 Catalog No: AG01ERW9 MDL No:
Product Description
Catalog Number:
AG01ERW9
Chemical Name:
(6'-Bromo-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-3-yl)-methyl-carbamic acid tert-butyl ester
CAS Number:
1289385-81-4
Molecular Formula:
C16H24BrN3O2
Molecular Weight:
370.2847
IUPAC Name:
tert-butyl N-[1-(6-bromopyridin-2-yl)piperidin-3-yl]-N-methylcarbamate
InChI:
InChI=1S/C16H24BrN3O2/c1-16(2,3)22-15(21)19(4)12-7-6-10-20(11-12)14-9-5-8-13(17)18-14/h5,8-9,12H,6-7,10-11H2,1-4H3
InChI Key:
ZWTKROMSKPIPCC-UHFFFAOYSA-N
SMILES:
O=C(N(C1CCCN(C1)c1cccc(n1)Br)C)OC(C)(C)C
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.291g/mol
Monoisotopic Mass:
369.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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