Name: Name:1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylic acid
Brand: Angene
SKU: AG01BBI0
Rating: 90 (10 reviews)

1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylic acid

CAS No.:

1260803-22-2

Catalog Number:

AG01BBI0

Molecular Formula:

C13H13FN2O2

Molecular Weight:

248.2529

Catalog Number:

AG01BBI0

Chemical Name:

1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylic acid

CAS Number:

1260803-22-2

Molecular Formula:

C13H13FN2O2

Molecular Weight:

248.2529

MDL Number:

MFCD11037692

IUPAC Name:

1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylic acid

InChI:

InChI=1S/C13H13FN2O2/c14-11-1-2-12(10(7-11)8-15)16-5-3-9(4-6-16)13(17)18/h1-2,7,9H,3-6H2,(H,17,18)

InChI Key:

NXGXXQTYLAETER-UHFFFAOYSA-N

SMILES:

N#Cc1cc(F)ccc1N1CCC(CC1)C(=O)O

Complexity:

357

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.257g/mol

Monoisotopic Mass:

248.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9