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1279038-04-8 | 1-Piperidinecarboxylic acid, 3-hydroxy-4-(4-hydroxyphenyl)-, 1,1-dimethylethyl ester, (3S,4S)-
CAS No: 1279038-04-8 Catalog No: AG000XJX MDL No:
Product Description
Catalog Number:
AG000XJX
Chemical Name:
1-Piperidinecarboxylic acid, 3-hydroxy-4-(4-hydroxyphenyl)-, 1,1-dimethylethyl ester, (3S,4S)-
CAS Number:
1279038-04-8
Molecular Formula:
C16H23NO4
Molecular Weight:
293.3581
IUPAC Name:
tert-butyl (3R,4R)-3-hydroxy-4-(4-hydroxyphenyl)piperidine-1-carboxylate
InChI:
InChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17-9-8-13(14(19)10-17)11-4-6-12(18)7-5-11/h4-7,13-14,18-19H,8-10H2,1-3H3/t13-,14+/m1/s1
InChI Key:
AJASTZDEVUUDKP-KGLIPLIRSA-N
SMILES:
O[C@@H]1CN(CC[C@H]1c1ccc(cc1)O)C(=O)OC(C)(C)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
293.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.363g/mol
Monoisotopic Mass:
293.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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