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85098-75-5 | 1-Piperidinecarboxylicacid, 4-cyano-4-[(4-fluorophenyl)amino]-, methyl ester
CAS No: 85098-75-5 Catalog No: AG004XKF MDL No:
Product Description
Catalog Number:
AG004XKF
Chemical Name:
1-Piperidinecarboxylicacid, 4-cyano-4-[(4-fluorophenyl)amino]-, methyl ester
CAS Number:
85098-75-5
Molecular Formula:
C14H16FN3O2
Molecular Weight:
277.2941
IUPAC Name:
methyl 4-cyano-4-(4-fluoroanilino)piperidine-1-carboxylate
InChI:
InChI=1S/C14H16FN3O2/c1-20-13(19)18-8-6-14(10-16,7-9-18)17-12-4-2-11(15)3-5-12/h2-5,17H,6-9H2,1H3
InChI Key:
JDDRRUBKMLAPOQ-UHFFFAOYSA-N
SMILES:
COC(=O)N1CCC(CC1)(C#N)Nc1ccc(cc1)F
EC Number:
285-427-2
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.123g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.299g/mol
Monoisotopic Mass:
277.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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