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Home > Bromides > 1266115-14-3
1266115-14-3 | 1-Piperidinecarboxylic acid, 3-[[(5-bromo-2-pyridinyl)oxy]methyl]-, 1,1-dimethylethyl ester
CAS No: 1266115-14-3 Catalog No: AG000SZZ MDL No:MFCD11877790
Product Description
Catalog Number:
AG000SZZ
Chemical Name:
1-Piperidinecarboxylic acid, 3-[[(5-bromo-2-pyridinyl)oxy]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1266115-14-3
Molecular Formula:
C16H23BrN2O3
Molecular Weight:
371.2694
MDL Number:
MFCD11877790
IUPAC Name:
tert-butyl 3-[(5-bromopyridin-2-yl)oxymethyl]piperidine-1-carboxylate
InChI:
InChI=1S/C16H23BrN2O3/c1-16(2,3)22-15(20)19-8-4-5-12(10-19)11-21-14-7-6-13(17)9-18-14/h6-7,9,12H,4-5,8,10-11H2,1-3H3
InChI Key:
FGOFVVVQMWCWPY-UHFFFAOYSA-N
SMILES:
Brc1ccc(nc1)OCC1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.089g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.275g/mol
Monoisotopic Mass:
370.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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