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84145-25-5 | 1-Piperidinecarboxylicacid, 4-cyano-4-(phenylamino)-, ethyl ester
CAS No: 84145-25-5 Catalog No: AG004SHA MDL No:
Product Description
Catalog Number:
AG004SHA
Chemical Name:
1-Piperidinecarboxylicacid, 4-cyano-4-(phenylamino)-, ethyl ester
CAS Number:
84145-25-5
Molecular Formula:
C15H19N3O2
Molecular Weight:
273.3303
IUPAC Name:
ethyl 4-anilino-4-cyanopiperidine-1-carboxylate
InChI:
InChI=1S/C15H19N3O2/c1-2-20-14(19)18-10-8-15(12-16,9-11-18)17-13-6-4-3-5-7-13/h3-7,17H,2,8-11H2,1H3
InChI Key:
FLFATCQHLCJCDS-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCC(CC1)(C#N)Nc1ccccc1
EC Number:
282-250-2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.148g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.336g/mol
Monoisotopic Mass:
273.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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