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1261940-28-6 | 1-Piperidinecarboxylic acid, 2-[2-[3-(trifluoromethyl)phenoxy]ethyl]-, 1,1-dimethylethyl ester
CAS No: 1261940-28-6 Catalog No: AG000S73 MDL No:MFCD18311884
Product Description
Catalog Number:
AG000S73
Chemical Name:
1-Piperidinecarboxylic acid, 2-[2-[3-(trifluoromethyl)phenoxy]ethyl]-, 1,1-dimethylethyl ester
CAS Number:
1261940-28-6
Molecular Formula:
C19H26F3NO3
Molecular Weight:
373.4098
MDL Number:
MFCD18311884
IUPAC Name:
tert-butyl 2-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine-1-carboxylate
InChI:
InChI=1S/C19H26F3NO3/c1-18(2,3)26-17(24)23-11-5-4-8-15(23)10-12-25-16-9-6-7-14(13-16)19(20,21)22/h6-7,9,13,15H,4-5,8,10-12H2,1-3H3
InChI Key:
PNLRGASBTNNECM-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1CCOc1cccc(c1)C(F)(F)F)OC(C)(C)C
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.186g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.416g/mol
Monoisotopic Mass:
373.186g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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