Name: Name:1-Piperidinecarboxylic acid, 4-cyano-4-(2-fluoro-4-methylphenyl)-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG000FR3
Rating: 90 (10 reviews)

1-Piperidinecarboxylic acid, 4-cyano-4-(2-fluoro-4-methylphenyl)-, 1,1-dimethylethyl ester

CAS No.:

1150315-87-9

Catalog Number:

AG000FR3

Molecular Formula:

C18H23FN2O2

Molecular Weight:

318.3858

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

MDL Number:

MFCD24470947

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

Complexity:

483

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

318.174g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

318.392g/mol

Monoisotopic Mass:

318.174g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3