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1150315-87-9 | 1-Piperidinecarboxylic acid, 4-cyano-4-(2-fluoro-4-methylphenyl)-, 1,1-dimethylethyl ester
CAS No: 1150315-87-9 Catalog No: AG000FR3 MDL No:
Product Description
Catalog Number:
AG000FR3
Chemical Name:
1-Piperidinecarboxylic acid, 4-cyano-4-(2-fluoro-4-methylphenyl)-, 1,1-dimethylethyl ester
CAS Number:
1150315-87-9
Molecular Formula:
C18H23FN2O2
Molecular Weight:
318.3858
IUPAC Name:
tert-butyl 4-cyano-4-(2-fluoro-4-methylphenyl)piperidine-1-carboxylate
InChI:
InChI=1S/C18H23FN2O2/c1-13-5-6-14(15(19)11-13)18(12-20)7-9-21(10-8-18)16(22)23-17(2,3)4/h5-6,11H,7-10H2,1-4H3
InChI Key:
NGAMWHLFIWBSHL-UHFFFAOYSA-N
SMILES:
N#CC1(CCN(CC1)C(=O)OC(C)(C)C)c1ccc(cc1F)C
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.174g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.392g/mol
Monoisotopic Mass:
318.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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