Chem 4 4 Chlorophenylpiperidin 4 Ol Ncc

Compound 122
  CheckMol                        TMF02:r0:m0
MF=C11H14ClNO MW=211.69
 14 15  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  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-Chlorophenyl)piperidin-4-ol

₹ 0.00 0.00

Chemical Name - 4-(4-Chlorophenyl)piperidin-4-ol
Mol Weight - 211.691
Smiles - OC1(CCNCC1)c(cc1)ccc1Cl
InChI - LZAYOZUFUAMFLD-UHFFFAOYSA-N
InChIKey - InChI=1S/C11H14ClNO/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-Chlorophenyl)piperidin-4-ol
Molweight	211.691
Monoisotopic Mass	211.076391
Clogp	2.0825
Clogs	-2.592
H Acceptors	2
H Donors	2
Total Surface Area	158.44
Relative Psa	0.15501
Polar Surface Area	32.26
Druglikeness	0.92569
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
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)ccc1Cl
InChIKey	InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
InChI	LZAYOZUFUAMFLD-UHFFFAOYSA-N

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4-(4-Chlorophenyl)piperidin-4-ol