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1261232-32-9 | 1-Piperidinecarboxylic acid, 2-[[(4,6-dimethyl-2-pyrimidinyl)oxy]methyl]-, 1,1-dimethylethyl ester
CAS No: 1261232-32-9 Catalog No: AG000ROR MDL No:MFCD18380096
Product Description
Catalog Number:
AG000ROR
Chemical Name:
1-Piperidinecarboxylic acid, 2-[[(4,6-dimethyl-2-pyrimidinyl)oxy]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1261232-32-9
Molecular Formula:
C17H27N3O3
Molecular Weight:
321.4146
MDL Number:
MFCD18380096
IUPAC Name:
tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate
InChI:
InChI=1S/C17H27N3O3/c1-12-10-13(2)19-15(18-12)22-11-14-8-6-7-9-20(14)16(21)23-17(3,4)5/h10,14H,6-9,11H2,1-5H3
InChI Key:
QMTYQPHVOVPRJX-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1COc1nc(C)cc(n1)C)OC(C)(C)C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.205g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.421g/mol
Monoisotopic Mass:
321.205g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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