Chem 4 4 Bromophenyl 4 Hydroxy Piperidine Ncc

Compound 124
  CheckMol                        TMF02:r0:m0
MF=C11H14BrNO MW=256.14
 14 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
   -1.3095   -0.7314   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6189    0.0354   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3212   -2.2178   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9284   -0.6960   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6307   -2.9492   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9402   -2.1824   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2496   -2.9138   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9637   -3.6570   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5591   -2.1470   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2614   -4.4002   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8685   -2.8784   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5708   -5.1316   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8803   -4.3648   -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  1  0  0  0  0
  8 10  1  0  1  0  0
  8 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
  6  7 01  0  1  0  0
 13 14  1  0  1  0  0
M  END

4-(4-Bromophenyl)-4-Hydroxy Piperidine

₹ 0.00 0.00

Chemical Name - 4-(4-Bromophenyl)-4-Hydroxy Piperidine
Mol Weight - 256.142
Smiles - OC1(CCNCC1)c(cc1)ccc1Br
InChI - QNLXJYQUWCNYBH-UHFFFAOYSA-N
InChIKey - InChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2

Property Name	Property Value
Mol Name	4-(4-Bromophenyl)-4-Hydroxy Piperidine
Molweight	256.142
Monoisotopic Mass	255.025875
Clogp	2.2017
Clogs	-2.69
H Acceptors	2
H Donors	2
Total Surface Area	161.65
Relative Psa	0.15193
Polar Surface Area	32.26
Druglikeness	-0.94599
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	high
Shape Index	0.64286
Molecular Flexibility	0.44938
Molecular Complexity	0.626
Fragments	1
Non H Atoms	14
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	1
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	OC1(CCNCC1)c(cc1)ccc1Br
InChIKey	InChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
InChI	QNLXJYQUWCNYBH-UHFFFAOYSA-N

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4-(4-Bromophenyl)-4-Hydroxy Piperidine