200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1289388-37-9
1289388-37-9 | 1-Piperidinecarboxylic acid, 3-[[(4-fluorophenyl)thio]methyl]-, 1,1-dimethylethyl ester
CAS No: 1289388-37-9 Catalog No: AG000YO2 MDL No:MFCD18837557
Product Description
Catalog Number:
AG000YO2
Chemical Name:
1-Piperidinecarboxylic acid, 3-[[(4-fluorophenyl)thio]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1289388-37-9
Molecular Formula:
C17H24FNO2S
Molecular Weight:
325.4414
MDL Number:
MFCD18837557
IUPAC Name:
tert-butyl 3-[(4-fluorophenyl)sulfanylmethyl]piperidine-1-carboxylate
InChI:
InChI=1S/C17H24FNO2S/c1-17(2,3)21-16(20)19-10-4-5-13(11-19)12-22-15-8-6-14(18)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3
InChI Key:
MXUKQWRNJFXWBB-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)SCC1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.151g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.442g/mol
Monoisotopic Mass:
325.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.