Chem N Benzyl 4 Hydroxy Piperidine Ncc

Compound 120
  CheckMol                        TMF02:r0:m0
MF=C12H17NO MW=191.27
 14 15  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    0.7603   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2831    2.2810   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5899    0.0238   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5780    3.0413   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8848    0.7841   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8729    2.2929   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1679    3.0532   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4628    2.3166   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4510    0.8197   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7578    3.0770   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.7459    0.0713   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0527    2.3285   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0408    0.8316   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  1  0  0
  2  4  1  0  1  0  0
  3  5  1  0  1  0  0
  4  6  1  0  1  0  0
  5  7  1  0  1  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10 02  0  1  0  0
  9 11 01  0  1  0  0
 10 12 01  0  1  0  0
 11 13 02  0  1  0  0
 12 14 02  0  1  0  0
  6  7  1  0  1  0  0
 13 14 01  0  1  0  0
M  END

N-Benzyl-4-Hydroxy Piperidine

₹ 0.00 0.00

Chemical Name - N-Benzyl-4-Hydroxy Piperidine
Mol Weight - 191.273
Smiles - OC1CCN(Cc2ccccc2)CC1
InChI - BPPZXJZYCOETDA-UHFFFAOYSA-N
InChIKey - InChI=1S/C12H17NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2

Property Name	Property Value
Mol Name	N-Benzyl-4-Hydroxy Piperidine
Molweight	191.273
Monoisotopic Mass	191.131014
Clogp	1.5634
Clogs	-1.687
H Acceptors	2
H Donors	1
Total Surface Area	157.71
Relative Psa	0.10557
Polar Surface Area	23.47
Druglikeness	4.6052
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.71429
Molecular Flexibility	0.4343
Molecular Complexity	0.52337
Fragments	1
Non H Atoms	14
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	8
Symmetric Atoms	4
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	OC1CCN(Cc2ccccc2)CC1
InChIKey	InChI=1S/C12H17NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
InChI	BPPZXJZYCOETDA-UHFFFAOYSA-N

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N-Benzyl-4-Hydroxy Piperidine