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Home > Bromides > 1417793-65-7
1417793-65-7 | Carbamic acid, N-[1-(5-bromo-2-pyridinyl)-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS No: 1417793-65-7 Catalog No: AG001H3Q MDL No:
Product Description
Catalog Number:
AG001H3Q
Chemical Name:
Carbamic acid, N-[1-(5-bromo-2-pyridinyl)-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1417793-65-7
Molecular Formula:
C15H22BrN3O2
Molecular Weight:
356.2581
IUPAC Name:
tert-butyl N-[1-(5-bromopyridin-2-yl)piperidin-3-yl]carbamate
InChI:
InChI=1S/C15H22BrN3O2/c1-15(2,3)21-14(20)18-12-5-4-8-19(10-12)13-7-6-11(16)9-17-13/h6-7,9,12H,4-5,8,10H2,1-3H3,(H,18,20)
InChI Key:
UVVBJFMKWSPLKJ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCCN(C1)c1ccc(cn1)Br
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.264g/mol
Monoisotopic Mass:
355.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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