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1261231-17-7 | 1-Piperidinecarboxylic acid, 4-[(6-bromo-2-pyridinyl)methylamino]-, 1,1-dimethylethyl ester
CAS No: 1261231-17-7 Catalog No: AG000ROZ MDL No:
Product Description
Catalog Number:
AG000ROZ
Chemical Name:
1-Piperidinecarboxylic acid, 4-[(6-bromo-2-pyridinyl)methylamino]-, 1,1-dimethylethyl ester
CAS Number:
1261231-17-7
Molecular Formula:
C16H24BrN3O2
Molecular Weight:
370.2847
IUPAC Name:
tert-butyl 4-[(6-bromopyridin-2-yl)-methylamino]piperidine-1-carboxylate
InChI:
InChI=1S/C16H24BrN3O2/c1-16(2,3)22-15(21)20-10-8-12(9-11-20)19(4)14-7-5-6-13(17)18-14/h5-7,12H,8-11H2,1-4H3
InChI Key:
QLVICWNKMIQFOK-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)NCc1cccc(n1)Br)OC(C)(C)C
Properties
Complexity:
378
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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