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1010114-48-3

1010114-48-3 | 1-Piperidinecarboxylic acid, 4-[[(5-bromo-2-pyridinyl)oxy]methyl]-, 1,1-dimethylethyl ester

CAS No: 1010114-48-3 Catalog No: AG0003J3 MDL No:MFCD11877792

Product Description

Catalog Number:
AG0003J3
Chemical Name:
1-Piperidinecarboxylic acid, 4-[[(5-bromo-2-pyridinyl)oxy]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1010114-48-3
Molecular Formula:
C16H23BrN2O3
Molecular Weight:
371.2694
MDL Number:
MFCD11877792
IUPAC Name:
tert-butyl 4-[(5-bromopyridin-2-yl)oxymethyl]piperidine-1-carboxylate
InChI:
InChI=1S/C16H23BrN2O3/c1-16(2,3)22-15(20)19-8-6-12(7-9-19)11-21-14-5-4-13(17)10-18-14/h4-5,10,12H,6-9,11H2,1-3H3
InChI Key:
LZVROYQTBUNAMM-UHFFFAOYSA-N
SMILES:
Brc1ccc(nc1)OCC1CCN(CC1)C(=O)OC(C)(C)C

Properties

Complexity:
365  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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