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194668-49-0 | 1-Piperidinecarboxylic acid, 4-[(5-bromo-2-pyridinyl)oxy]-,1,1-dimethylethyl ester
CAS No: 194668-49-0 Catalog No: AG01EUGE MDL No:
Product Description
Catalog Number:
AG01EUGE
Chemical Name:
1-Piperidinecarboxylic acid, 4-[(5-bromo-2-pyridinyl)oxy]-,1,1-dimethylethyl ester
CAS Number:
194668-49-0
Molecular Formula:
C15H21BrN2O3
Molecular Weight:
357.2428
IUPAC Name:
tert-butyl 4-(5-bromopyridin-2-yl)oxypiperidine-1-carboxylate
InChI:
InChI=1S/C15H21BrN2O3/c1-15(2,3)21-14(19)18-8-6-12(7-9-18)20-13-5-4-11(16)10-17-13/h4-5,10,12H,6-9H2,1-3H3
InChI Key:
ZDWUDTMOOQHRFB-UHFFFAOYSA-N
SMILES:
Brc1ccc(nc1)OC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.074g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.248g/mol
Monoisotopic Mass:
356.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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