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1260787-80-1 | 1,4-Piperidinedicarboxylic acid, 4-(2-ethoxy-2-oxoethyl)-, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester
CAS No: 1260787-80-1 Catalog No: AG000R9G MDL No:
Product Description
Catalog Number:
AG000R9G
Chemical Name:
1,4-Piperidinedicarboxylic acid, 4-(2-ethoxy-2-oxoethyl)-, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester
CAS Number:
1260787-80-1
Molecular Formula:
C22H31NO6
Molecular Weight:
405.4846
IUPAC Name:
4-O-benzyl 1-O-tert-butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1,4-dicarboxylate
InChI:
InChI=1S/C22H31NO6/c1-5-27-18(24)15-22(19(25)28-16-17-9-7-6-8-10-17)11-13-23(14-12-22)20(26)29-21(2,3)4/h6-10H,5,11-16H2,1-4H3
InChI Key:
AUEKNOJORXIFNI-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.215g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
405.491g/mol
Monoisotopic Mass:
405.215g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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