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1365887-44-0 | 1,3-Piperidinedicarboxylic acid, 5-methyl-, 1-(1,1-dimethylethyl) 3-methyl ester
CAS No: 1365887-44-0 Catalog No: AG00123L MDL No:
Product Description
Catalog Number:
AG00123L
Chemical Name:
1,3-Piperidinedicarboxylic acid, 5-methyl-, 1-(1,1-dimethylethyl) 3-methyl ester
CAS Number:
1365887-44-0
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
IUPAC Name:
1-O-tert-butyl 3-O-methyl 5-methylpiperidine-1,3-dicarboxylate
InChI:
InChI=1S/C13H23NO4/c1-9-6-10(11(15)17-5)8-14(7-9)12(16)18-13(2,3)4/h9-10H,6-8H2,1-5H3
InChI Key:
VNLLBTSMSLITGU-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC(C)CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.33g/mol
Monoisotopic Mass:
257.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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