Chem N Acetyl 4 Hydroxy Phenyl Piperazine

Compound 87
  CheckMol                        TMF02:r0:m0
MF=C12H16N2O2 MW=220.27
 16 17  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4846   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3197   -2.2152   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2725   -2.2152   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6276   -1.4493   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3315   -3.6998   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6393    0.0589   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9354   -2.1798   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6393   -4.4303   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3550    0.8130   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9472    0.8248   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9472   -3.6644   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3668    2.3212   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9590    2.3330   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6747    3.0871   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6865    4.5953   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  1  0  0
  3  6  1  0  1  0  0
  5  7  1  0  0  0  0
  5  8  1  0  1  0  0
  6  9  1  0  1  0  0
  7 10 02  0  1  0  0
  7 11 01  0  1  0  0
  8 12  1  0  1  0  0
 10 13 01  0  1  0  0
 11 14 02  0  1  0  0
 13 15 02  0  1  0  0
 15 16  1  0  0  0  0
  9 12  1  0  1  0  0
 14 15 01  0  1  0  0
M  END

N- Acetyl - ( 4 Hydroxy Phenyl) Piperazine

₹ 0.00 0.00

Chemical Name - N- Acetyl - ( 4 Hydroxy Phenyl) Piperazine
Mol Weight - 220.271
Smiles - CC(N(CCNC1)C1c(cc1)ccc1O)=O

Property Name	Property Value
Mol Name	N- Acetyl - ( 4 Hydroxy Phenyl) Piperazine
Molweight	220.271
Monoisotopic Mass	220.121178
Clogp	0.9171
Clogs	-0.818
H Acceptors	4
H Donors	2
Total Surface Area	171.66
Relative Psa	0.23972
Polar Surface Area	52.57
Druglikeness	4.2204
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5625
Molecular Flexibility	0.41492
Molecular Complexity	0.67908
Fragments	1
Non H Atoms	16
Non Ch Atoms	4
Electronegative Atoms	4
Stereo Centers	1
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	7
Symmetric Atoms	2
Amides	1
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	CC(N(CCNC1)C1c(cc1)ccc1O)=O
InChIKey	InChI=1S/C12H16N2O2/c1-9(15)14-7-6-13-8-12(14)10-2-4-11(16)5-3-10/h2-5,12-13,16H,6-8H2,1H3
InChI	PUALFXXSFRVTKY-UHFFFAOYSA-N

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N- Acetyl - ( 4 Hydroxy Phenyl) Piperazine