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1417789-36-6 | 4-Piperidinecarboxylic acid, 5-ethyl-2-(2-hydroxyethyl)-, 1,1-dimethylethyl ester, (2S,4S,5R)-
CAS No: 1417789-36-6 Catalog No: AG001H1M MDL No:MFCD18071024
Product Description
Catalog Number:
AG001H1M
Chemical Name:
4-Piperidinecarboxylic acid, 5-ethyl-2-(2-hydroxyethyl)-, 1,1-dimethylethyl ester, (2S,4S,5R)-
CAS Number:
1417789-36-6
Molecular Formula:
C14H27NO3
Molecular Weight:
257.3691
MDL Number:
MFCD18071024
IUPAC Name:
tert-butyl 5-ethyl-2-(2-hydroxyethyl)piperidine-4-carboxylate
InChI:
InChI=1S/C14H27NO3/c1-5-10-9-15-11(6-7-16)8-12(10)13(17)18-14(2,3)4/h10-12,15-16H,5-9H2,1-4H3
InChI Key:
XHAFNWJVGYDHPM-UHFFFAOYSA-N
SMILES:
OCC[C@H]1NC[C@@H]([C@H](C1)C(=O)OC(C)(C)C)CC
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.199g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.374g/mol
Monoisotopic Mass:
257.199g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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