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1420816-86-9 | Carbamic acid, N-[1-(2-methoxy-4-pyrimidinyl)-4-piperidinyl]-, 1,1-dimethylethyl ester
CAS No: 1420816-86-9 Catalog No: AG001HQQ MDL No:
Product Description
Catalog Number:
AG001HQQ
Chemical Name:
Carbamic acid, N-[1-(2-methoxy-4-pyrimidinyl)-4-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1420816-86-9
Molecular Formula:
C15H24N4O3
Molecular Weight:
308.3761
IUPAC Name:
tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
InChI:
InChI=1S/C15H24N4O3/c1-15(2,3)22-14(20)17-11-6-9-19(10-7-11)12-5-8-16-13(18-12)21-4/h5,8,11H,6-7,9-10H2,1-4H3,(H,17,20)
InChI Key:
ZOONWCQIRGOCRT-UHFFFAOYSA-N
SMILES:
COc1nccc(n1)N1CCC(CC1)NC(=O)OC(C)(C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.185g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.382g/mol
Monoisotopic Mass:
308.185g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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