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188867-89-2 | 1-Piperidinecarboxylic acid, 3-hydroxy-4-[4-(phenylmethoxy)phenyl]-, 1,1-dimethylethyl ester, (3R,4R)-rel-
CAS No: 188867-89-2 Catalog No: AG002HFG MDL No:
Product Description
Catalog Number:
AG002HFG
Chemical Name:
1-Piperidinecarboxylic acid, 3-hydroxy-4-[4-(phenylmethoxy)phenyl]-, 1,1-dimethylethyl ester, (3R,4R)-rel-
CAS Number:
188867-89-2
Molecular Formula:
C23H29NO4
Molecular Weight:
383.4807
IUPAC Name:
tert-butyl (3R,4R)-3-hydroxy-4-(4-phenylmethoxyphenyl)piperidine-1-carboxylate
InChI:
InChI=1S/C23H29NO4/c1-23(2,3)28-22(26)24-14-13-20(21(25)15-24)18-9-11-19(12-10-18)27-16-17-7-5-4-6-8-17/h4-12,20-21,25H,13-16H2,1-3H3/t20-,21+/m1/s1
InChI Key:
FYTOCUHAQHZOGJ-RTWAWAEBSA-N
SMILES:
O[C@H]1CN(CC[C@@H]1c1ccc(cc1)OCc1ccccc1)C(=O)OC(C)(C)C
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
383.21g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.488g/mol
Monoisotopic Mass:
383.21g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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