Chem N Benzyl 4 Piperidone Ncc

Compound 119
  CheckMol                        TMF02:r0:m0
MF=C12H15NO MW=189.26
 14 15  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    0.7603   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2831    2.2810   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5899    0.0238   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5780    3.0413   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8848    0.7841   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8729    2.2929   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1679    3.0532   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4628    2.3166   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4510    0.8197   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7578    3.0770   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7459    0.0713   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0527    2.3285   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0408    0.8316   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  1  0  0
  2  4  1  0  1  0  0
  3  5  1  0  1  0  0
  4  6  1  0  1  0  0
  5  7  1  0  1  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10 02  0  1  0  0
  9 11 01  0  1  0  0
 10 12 01  0  1  0  0
 11 13 02  0  1  0  0
 12 14 02  0  1  0  0
  6  7  1  0  1  0  0
 13 14 01  0  1  0  0
M  END

N-Benzyl-4-Piperidone

₹ 0.00 0.00

Chemical Name - N-Benzyl-4-Piperidone
Mol Weight - 189.257
Smiles - O=C1CCN(Cc2ccccc2)CC1
InChI - SJZKULRDWHPHGG-UHFFFAOYSA-N
InChIKey - InChI=1S/C12H15NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2

Property Name	Property Value
Mol Name	N-Benzyl-4-Piperidone
Molweight	189.257
Monoisotopic Mass	189.115364
Clogp	1.7071
Clogs	-1.738
H Acceptors	2
Total Surface Area	156.61
Relative Psa	0.10593
Polar Surface Area	20.31
Druglikeness	0.88925
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.71429
Molecular Flexibility	0.43793
Molecular Complexity	0.52337
Fragments	1
Non H Atoms	14
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	6
Symmetric Atoms	4
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	O=C1CCN(Cc2ccccc2)CC1
InChIKey	InChI=1S/C12H15NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChI	SJZKULRDWHPHGG-UHFFFAOYSA-N

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N-Benzyl-4-Piperidone