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1286274-50-7 | 1-Piperidinecarboxylic acid, 4-[[(3-amino-2-pyridinyl)oxy]methyl]-, 1,1-dimethylethyl ester
CAS No: 1286274-50-7 Catalog No: AG000Y8P MDL No:MFCD17014203
Product Description
Catalog Number:
AG000Y8P
Chemical Name:
1-Piperidinecarboxylic acid, 4-[[(3-amino-2-pyridinyl)oxy]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1286274-50-7
Molecular Formula:
C16H25N3O3
Molecular Weight:
307.3880
MDL Number:
MFCD17014203
IUPAC Name:
tert-butyl 4-[(3-aminopyridin-2-yl)oxymethyl]piperidine-1-carboxylate
InChI:
InChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-9-6-12(7-10-19)11-21-14-13(17)5-4-8-18-14/h4-5,8,12H,6-7,9-11,17H2,1-3H3
InChI Key:
INULZHXUJBVTMH-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)COc1ncccc1N)OC(C)(C)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.19g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.394g/mol
Monoisotopic Mass:
307.19g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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