Chem 1 4 Methoxy Phenyl Piperazine Hbr Pacific

Compound 128
  CheckMol                        TMF02:r0:m0
MF=C11H17BrN2O MW=273.17
 15 15  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0896    4.5651   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1015    3.0672   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.7938    5.3260   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4211    2.3301   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.8057    2.3301   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.4330    0.8322   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.8176    0.8322   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.1372    0.0951   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.1491   -1.4028   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4687   -2.1399   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8532   -2.1518   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4806   -3.6379   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8651   -3.6497   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1847   -4.3749   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5 02  0  1  0  0
  3  6 01  0  1  0  0
  5  7 01  0  1  0  0
  6  8 02  0  1  0  0
  7  9 02  0  1  0  0
  9 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
  8  9 01  0  1  0  0
 14 15  1  0  1  0  0
M  END

1-(4-Methoxy Phenyl) Piperazine Hbr

₹ 0.00 0.00

Chemical Name - 1-(4-Methoxy Phenyl) Piperazine Hbr
Mol Weight - 192.261
Smiles - COc(cc1)ccc1N1CCNCC1.Br

Property Name	Property Value
Mol Name	1-(4-Methoxy Phenyl) Piperazine Hbr
Molweight	192.261
Monoisotopic Mass	192.126263
Clogp	1.1151
Clogs	-1.601
H Acceptors	3
H Donors	1
Total Surface Area	158.82
Relative Psa	0.15747
Polar Surface Area	24.5
Druglikeness	2.6335
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.71429
Molecular Flexibility	0.38447
Molecular Complexity	0.56169
Fragments	2
Non H Atoms	14
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	7
Symmetric Atoms	4
Amines	2
Alkyl Amines	1
Aromatic Amines	1
Basic Nitrogens	1
Smiles	COc(cc1)ccc1N1CCNCC1.Br
InChIKey	InChI=1S/C11H16N2O.BrH/c1-14-11-4-2-10(3-5-11)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H
InChI	CIINIXAOAQOZHF-UHFFFAOYSA-N

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1 - 1-(4-Methoxy Phenyl) Piperazine Hbr
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1-(4-Methoxy Phenyl) Piperazine Hbr