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1417789-23-1 | 4-Piperidinecarboxylic acid, 5-(2-hydroxyethyl)-2-methyl-, 1,1-dimethylethyl ester, (2R,4S,5R)-
CAS No: 1417789-23-1 Catalog No: AG001H1X MDL No:MFCD18071022
Product Description
Catalog Number:
AG001H1X
Chemical Name:
4-Piperidinecarboxylic acid, 5-(2-hydroxyethyl)-2-methyl-, 1,1-dimethylethyl ester, (2R,4S,5R)-
CAS Number:
1417789-23-1
Molecular Formula:
C13H25NO3
Molecular Weight:
243.3425
MDL Number:
MFCD18071022
IUPAC Name:
tert-butyl (2R,4S,5R)-5-(2-hydroxyethyl)-2-methylpiperidine-4-carboxylate
InChI:
InChI=1S/C13H25NO3/c1-9-7-11(10(5-6-15)8-14-9)12(16)17-13(2,3)4/h9-11,14-15H,5-8H2,1-4H3/t9-,10+,11+/m1/s1
InChI Key:
XNKLPUQQLCCQIQ-VWYCJHECSA-N
SMILES:
OCC[C@H]1CN[C@@H](C[C@@H]1C(=O)OC(C)(C)C)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
243.183g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.347g/mol
Monoisotopic Mass:
243.183g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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