200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1417793-54-4
1417793-54-4 | 1-Piperidinecarboxylic acid, 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, 1,1-dimethylethyl ester
CAS No: 1417793-54-4 Catalog No: AG001H3Z MDL No:MFCD22631681
Product Description
Catalog Number:
AG001H3Z
Chemical Name:
1-Piperidinecarboxylic acid, 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1417793-54-4
Molecular Formula:
C17H22ClF3N2O3
Molecular Weight:
394.8164
MDL Number:
MFCD22631681
IUPAC Name:
tert-butyl 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxymethyl]piperidine-1-carboxylate
InChI:
InChI=1S/C17H22ClF3N2O3/c1-16(2,3)26-15(24)23-6-4-5-11(9-23)10-25-14-13(18)7-12(8-22-14)17(19,20)21/h7-8,11H,4-6,9-10H2,1-3H3
InChI Key:
YEATWQKDKDGKMM-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)COc1ncc(cc1Cl)C(F)(F)F)OC(C)(C)C
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.127g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.819g/mol
Monoisotopic Mass:
394.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.