Chem 4 4 Fluorobenzoylpiperidine Ncc

Compound 129
  CheckMol                        TMF02:r0:m0
MF=C12H14FNO MW=207.25
 15 16  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3049    0.7524   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3167    2.2572   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6098    0.0235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6216    3.0095   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9148    0.7759   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9265    2.2807   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2314    3.0331   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2432    4.5378   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5364    2.3042   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8413    3.0683   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5481    0.8229   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1462    2.3394   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8530    0.0940   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1579    0.8582   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  1  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  1  0  0
 10 12  1  0  1  0  0
 11 13  1  0  1  0  0
 12 14  1  0  1  0  0
 13 15  1  0  1  0  0
  6  7 01  0  1  0  0
 14 15  1  0  1  0  0
M  END

4-(4-Fluorobenzoyl)piperidine

₹ 0.00 0.00

Chemical Name - 4-(4-Fluorobenzoyl)piperidine
Mol Weight - 207.247
Smiles - O=C(C1CCNCC1)c(cc1)ccc1F
InChI - ABERUOJGWHYBJL-UHFFFAOYSA-N
InChIKey - InChI=1S/C12H14FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-4,10,14H,5-8H2

Property Name	Property Value
Mol Name	4-(4-Fluorobenzoyl)piperidine
Molweight	207.247
Monoisotopic Mass	207.105942
Clogp	1.6682
Clogs	-2.915
H Acceptors	2
H Donors	1
Total Surface Area	162.86
Relative Psa	0.15044
Polar Surface Area	29.1
Druglikeness	-0.17511
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.43132
Molecular Complexity	0.60895
Fragments	1
Non H Atoms	15
Non Ch Atoms	3
Electronegative Atoms	3
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=C(C1CCNCC1)c(cc1)ccc1F
InChIKey	InChI=1S/C12H14FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-4,10,14H,5-8H2
InChI	ABERUOJGWHYBJL-UHFFFAOYSA-N

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4-(4-Fluorobenzoyl)piperidine