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1363166-15-7 | 1,3-Piperidinedicarboxylic acid, 3-fluoro-, 3-methyl 1-(phenylmethyl) ester
CAS No: 1363166-15-7 Catalog No: AG0011MS MDL No:MFCD21641308
Product Description
Catalog Number:
AG0011MS
Chemical Name:
1,3-Piperidinedicarboxylic acid, 3-fluoro-, 3-methyl 1-(phenylmethyl) ester
CAS Number:
1363166-15-7
Molecular Formula:
C15H18FNO4
Molecular Weight:
295.3061
MDL Number:
MFCD21641308
IUPAC Name:
1-O-benzyl 3-O-methyl 3-fluoropiperidine-1,3-dicarboxylate
InChI:
InChI=1S/C15H18FNO4/c1-20-13(18)15(16)8-5-9-17(11-15)14(19)21-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3
InChI Key:
GVOKTURUCNJPAA-UHFFFAOYSA-N
SMILES:
COC(=O)C1(F)CCCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.31g/mol
Monoisotopic Mass:
295.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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