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1289387-16-1 | 1-Piperidinecarboxylic acid, 4-[[[2-[[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinyl]methoxy]-6-methyl-4-pyrimidinyl]oxy]methyl]-, 1,1-dimethylethyl ester
CAS No: 1289387-16-1 Catalog No: AG000YMY MDL No:
Product Description
Catalog Number:
AG000YMY
Chemical Name:
1-Piperidinecarboxylic acid, 4-[[[2-[[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinyl]methoxy]-6-methyl-4-pyrimidinyl]oxy]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1289387-16-1
Molecular Formula:
C27H44N4O6
Molecular Weight:
520.6615
IUPAC Name:
tert-butyl 4-[[6-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]pyrimidin-4-yl]oxymethyl]piperidine-1-carboxylate
InChI:
InChI=1S/C27H44N4O6/c1-19-16-23(35-17-20-8-12-30(13-9-20)24(32)36-26(2,3)4)29-22(28-19)18-34-21-10-14-31(15-11-21)25(33)37-27(5,6)7/h16,20-21H,8-15,17-18H2,1-7H3
InChI Key:
YZJXRLCJSPHFMX-UHFFFAOYSA-N
SMILES:
Cc1cc(OCC2CCN(CC2)C(=O)OC(C)(C)C)nc(n1)OCC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
736
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
520.326g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
520.671g/mol
Monoisotopic Mass:
520.326g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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