Home Other Building Blocks 4-Piperidinone, 3-methyl-1-(2-phenylethyl)-

4-Piperidinone, 3-methyl-1-(2-phenylethyl)-

CAS No.:
82003-82-5
Catalog Number:
AG000YXT
Molecular Formula:
C14H19NO
Molecular Weight:
217.3068
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Product Description
Catalog Number:
AG000YXT
Chemical Name:
4-Piperidinone, 3-methyl-1-(2-phenylethyl)-
CAS Number:
82003-82-5
Molecular Formula:
C14H19NO
Molecular Weight:
217.3068
MDL Number:
MFCD01699280
IUPAC Name:
3-methyl-1-(2-phenylethyl)piperidin-4-one
InChI:
InChI=1S/C14H19NO/c1-12-11-15(10-8-14(12)16)9-7-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChI Key:
FYNKVRCSKRJSSF-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1C)CCc1ccccc1
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.147g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.312g/mol
Monoisotopic Mass:
217.147g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties