Chem N Benzyl 4 Amino Piperidine Ncc

Compound 116
  CheckMol                        TMF02:r0:m0
MF=C12H18N2 MW=190.29
 14 15  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3151    0.7701   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4928   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2914    0.7583   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6302    0.0355   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3269   -2.2274   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6420   -1.4573   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5710   -1.4691   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8742    0.7820   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9571   -2.1918   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8624   -2.2155   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1656    0.0355   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1538   -1.4573   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  1  0  0
  1  3  1  0  1  0  0
  1  4  1  0  0  0  0
  2  5  1  0  1  0  0
  3  6  1  0  1  0  0
  4  7  1  0  0  0  0
  5  8  1  0  1  0  0
  7  9 02  0  1  0  0
  7 10 01  0  1  0  0
  8 11  1  0  0  0  0
  9 12 01  0  1  0  0
 10 13 02  0  1  0  0
 12 14 02  0  1  0  0
  6  8  1  0  1  0  0
 13 14 01  0  1  0  0
M  END

N-Benzyl-4-Amino Piperidine

₹ 0.00 0.00

Chemical Name - N-Benzyl-4-Amino Piperidine
Mol Weight - 190.289
Smiles - NC1CCN(Cc2ccccc2)CC1
InChI - YUBDLZGUSSWQSS-UHFFFAOYSA-N
InChIKey - InChI=1S/C12H18N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2

Property Name	Property Value
Mol Name	N-Benzyl-4-Amino Piperidine
Molweight	190.289
Monoisotopic Mass	190.146998
Clogp	1.1656
Clogs	-1.763
H Acceptors	2
H Donors	1
Total Surface Area	159.88
Relative Psa	0.11771
Polar Surface Area	29.26
Druglikeness	4.0345
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.71429
Molecular Flexibility	0.4288
Molecular Complexity	0.52698
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	2
Alkyl Amines	2
Basic Nitrogens	2
Smiles	NC1CCN(Cc2ccccc2)CC1
InChIKey	InChI=1S/C12H18N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2
InChI	YUBDLZGUSSWQSS-UHFFFAOYSA-N

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N-Benzyl-4-Amino Piperidine