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1261230-03-8 | 1-Piperidinecarboxylic acid, 4-[[(4-chloro-5-methyl-2-pyrimidinyl)oxy]methyl]-, 1,1-dimethylethyl ester
CAS No: 1261230-03-8 Catalog No: AG000RNT MDL No:
Product Description
Catalog Number:
AG000RNT
Chemical Name:
1-Piperidinecarboxylic acid, 4-[[(4-chloro-5-methyl-2-pyrimidinyl)oxy]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1261230-03-8
Molecular Formula:
C16H24ClN3O3
Molecular Weight:
341.8331
IUPAC Name:
tert-butyl 4-[(4-chloro-5-methylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate
InChI:
InChI=1S/C16H24ClN3O3/c1-11-9-18-14(19-13(11)17)22-10-12-5-7-20(8-6-12)15(21)23-16(2,3)4/h9,12H,5-8,10H2,1-4H3
InChI Key:
XAESYGGHFONGIG-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)COc1ncc(c(n1)Cl)C)OC(C)(C)C
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.151g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.836g/mol
Monoisotopic Mass:
341.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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