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1245643-80-4 | 1-Piperidinecarboxylic acid, 4-oxo-2-propyl-, 1,1-dimethylethyl ester
CAS No: 1245643-80-4 Catalog No: AG000M95 MDL No:
Product Description
Catalog Number:
AG000M95
Chemical Name:
1-Piperidinecarboxylic acid, 4-oxo-2-propyl-, 1,1-dimethylethyl ester
CAS Number:
1245643-80-4
Molecular Formula:
C13H23NO3
Molecular Weight:
241.3266
IUPAC Name:
tert-butyl 4-oxo-2-propylpiperidine-1-carboxylate
InChI:
InChI=1S/C13H23NO3/c1-5-6-10-9-11(15)7-8-14(10)12(16)17-13(2,3)4/h10H,5-9H2,1-4H3
InChI Key:
BWQSLEABTTWFLD-UHFFFAOYSA-N
SMILES:
CCCC1CC(=O)CCN1C(=O)OC(C)(C)C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.168g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.331g/mol
Monoisotopic Mass:
241.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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