Name: Name:3-amino-1-{[3-(trifluoromethyl)phenyl]methyl}piperidin-2-one
Brand: Angene
SKU: AG01A4WM
Rating: 90 (10 reviews)

3-amino-1-{[3-(trifluoromethyl)phenyl]methyl}piperidin-2-one

CAS No.:

1404945-84-1

Catalog Number:

AG01A4WM

Molecular Formula:

C13H15F3N2O

Molecular Weight:

272.2662

Catalog Number:

AG01A4WM

Chemical Name:

3-amino-1-{[3-(trifluoromethyl)phenyl]methyl}piperidin-2-one

CAS Number:

1404945-84-1

Molecular Formula:

C13H15F3N2O

Molecular Weight:

272.2662

MDL Number:

MFCD19099561

IUPAC Name:

3-amino-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one

InChI:

InChI=1S/C13H15F3N2O/c14-13(15,16)10-4-1-3-9(7-10)8-18-6-2-5-11(17)12(18)19/h1,3-4,7,11H,2,5-6,8,17H2

InChI Key:

JCGKFZHZUXCJFA-UHFFFAOYSA-N

SMILES:

O=C1C(N)CCCN1Cc1cccc(c1)C(F)(F)F

Complexity:

332

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

272.114g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

272.271g/mol

Monoisotopic Mass:

272.114g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7