Chem 1 Phenethyl 4 Piperidone Ncc

Compound 128
  CheckMol                        TMF02:r0:m0
MF=C13H17NO MW=203.28
 15 16  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2923    0.7588   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2804    2.2763   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5846    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5727    3.0351   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8768    0.7825   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8650    2.2882   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1573    3.0469   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4495    2.3119   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7418    3.0706   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0341    2.3356   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7300    4.5882   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.3264    3.1062   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0222    5.3588   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.3145    4.6238   -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  1  0  0  0  0
 10 11 02  0  1  0  0
 10 12 01  0  1  0  0
 11 13 01  0  1  0  0
 12 14 02  0  1  0  0
 13 15 02  0  1  0  0
  6  7  1  0  1  0  0
 14 15 01  0  1  0  0
M  END

1-Phenethyl-4-piperidone

₹ 0.00 0.00

Chemical Name - 1-Phenethyl-4-piperidone
Mol Weight - 203.284
Smiles - O=C1CCN(CCc2ccccc2)CC1
InChI - YDJXNYNKKXZBMP-UHFFFAOYSA-N
InChIKey - InChI=1S/C13H17NO/c15-13-7-10-14(11-8-13)9-6-12-4-2-1-3-5-12/h1-5H,6-11H2

Property Name	Property Value
Mol Name	1-Phenethyl-4-piperidone
Molweight	203.284
Monoisotopic Mass	203.131014
Clogp	2.1372
Clogs	-1.85
H Acceptors	2
Total Surface Area	170.37
Relative Psa	0.097376
Polar Surface Area	20.31
Druglikeness	1.7565
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.73333
Molecular Flexibility	0.47645
Molecular Complexity	0.51193
Fragments	1
Non H Atoms	15
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	7
Symmetric Atoms	4
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	O=C1CCN(CCc2ccccc2)CC1
InChIKey	InChI=1S/C13H17NO/c15-13-7-10-14(11-8-13)9-6-12-4-2-1-3-5-12/h1-5H,6-11H2
InChI	YDJXNYNKKXZBMP-UHFFFAOYSA-N

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1-Phenethyl-4-piperidone