200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1289387-54-7
1289387-54-7 | 1-Piperidinecarboxylic acid, 4-[[(4-chlorophenyl)thio]methyl]-, 1,1-dimethylethyl ester
CAS No: 1289387-54-7 Catalog No: AG000YNM MDL No:
Product Description
Catalog Number:
AG000YNM
Chemical Name:
1-Piperidinecarboxylic acid, 4-[[(4-chlorophenyl)thio]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1289387-54-7
Molecular Formula:
C17H24ClNO2S
Molecular Weight:
341.8960
IUPAC Name:
tert-butyl 4-[(4-chlorophenyl)sulfanylmethyl]piperidine-1-carboxylate
InChI:
InChI=1S/C17H24ClNO2S/c1-17(2,3)21-16(20)19-10-8-13(9-11-19)12-22-15-6-4-14(18)5-7-15/h4-7,13H,8-12H2,1-3H3
InChI Key:
PYNYEQOSEYEPPD-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)CSc1ccc(cc1)Cl)OC(C)(C)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.894g/mol
Monoisotopic Mass:
341.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.