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1027710-05-9 | 1,4-Piperidinedicarboxylic acid, 3-phenyl-, 1-(1,1-dimethylethyl) 4-ethyl ester, (3R,4S)-rel-
CAS No: 1027710-05-9 Catalog No: AG0008CA MDL No:MFCD27997363
Product Description
Catalog Number:
AG0008CA
Chemical Name:
1,4-Piperidinedicarboxylic acid, 3-phenyl-, 1-(1,1-dimethylethyl) 4-ethyl ester, (3R,4S)-rel-
CAS Number:
1027710-05-9
Molecular Formula:
C19H27NO4
Molecular Weight:
333.4220
MDL Number:
MFCD27997363
IUPAC Name:
1-O-tert-butyl 4-O-ethyl (3R,4S)-3-phenylpiperidine-1,4-dicarboxylate
InChI:
InChI=1S/C19H27NO4/c1-5-23-17(21)15-11-12-20(18(22)24-19(2,3)4)13-16(15)14-9-7-6-8-10-14/h6-10,15-16H,5,11-13H2,1-4H3/t15-,16-/m0/s1
InChI Key:
RUKNPFBJQDRKIS-HOTGVXAUSA-N
SMILES:
CCOC(=O)[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)OC(C)(C)C
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
333.194g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.428g/mol
Monoisotopic Mass:
333.194g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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