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1417794-31-0 | 1-Piperidinecarboxylic acid, 4-[[[4-(ethylamino)-2-pyrimidinyl]oxy]methyl]-, 1,1-dimethylethyl ester
CAS No: 1417794-31-0 Catalog No: AG001H56 MDL No:
Product Description
Catalog Number:
AG001H56
Chemical Name:
1-Piperidinecarboxylic acid, 4-[[[4-(ethylamino)-2-pyrimidinyl]oxy]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1417794-31-0
Molecular Formula:
C17H28N4O3
Molecular Weight:
336.4292
IUPAC Name:
tert-butyl 4-[[4-(ethylamino)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate
InChI:
InChI=1S/C17H28N4O3/c1-5-18-14-6-9-19-15(20-14)23-12-13-7-10-21(11-8-13)16(22)24-17(2,3)4/h6,9,13H,5,7-8,10-12H2,1-4H3,(H,18,19,20)
InChI Key:
UXGFHBBJHBDDDM-UHFFFAOYSA-N
SMILES:
CCNc1ccnc(n1)OCC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.216g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.436g/mol
Monoisotopic Mass:
336.216g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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