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1261232-25-0 | 1-Piperidinecarboxylic acid, 4-[(4-chloro-5-methyl-2-pyrimidinyl)oxy]-, 1,1-dimethylethyl ester
CAS No: 1261232-25-0 Catalog No: AG000ROS MDL No:
Product Description
Catalog Number:
AG000ROS
Chemical Name:
1-Piperidinecarboxylic acid, 4-[(4-chloro-5-methyl-2-pyrimidinyl)oxy]-, 1,1-dimethylethyl ester
CAS Number:
1261232-25-0
Molecular Formula:
C15H22ClN3O3
Molecular Weight:
327.8065
IUPAC Name:
tert-butyl 4-(4-chloro-5-methylpyrimidin-2-yl)oxypiperidine-1-carboxylate
InChI:
InChI=1S/C15H22ClN3O3/c1-10-9-17-13(18-12(10)16)21-11-5-7-19(8-6-11)14(20)22-15(2,3)4/h9,11H,5-8H2,1-4H3
InChI Key:
MTMBEPFNWWFPFO-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)Oc1ncc(c(n1)Cl)C)OC(C)(C)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.135g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.809g/mol
Monoisotopic Mass:
327.135g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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