Chem N Butyl 4 Piperidone Ncc

Compound 92
  CheckMol                        TMF02:r0:m0
MF=C9H17NO MW=155.24
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2947    0.7602   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828    2.2806   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5894    0.0238   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5776    3.0408   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8842    0.7840   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8723    2.2925   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1670    3.0527   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4617    2.3162   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7564    3.0764   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0512    2.3400   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  1  0  0  0  0
 10 11  1  0  0  0  0
  6  7  1  0  1  0  0
M  END

N-Butyl-4-Piperidone

₹ 0.00 0.00

Chemical Name - N-Butyl-4-Piperidone
Mol Weight - 155.24
Smiles - CCCCN(CC1)CCC1=O
InChI - OCNWYKFGWLGNHZ-UHFFFAOYSA-N
InChIKey - InChI=1S/C9H17NO/c1-2-3-6-10-7-4-9(11)5-8-10/h2-8H2,1H3

Property Name	Property Value
Mol Name	N-Butyl-4-Piperidone
Molweight	155.24
Monoisotopic Mass	155.131014
Clogp	1.6041
Clogs	-1.255
H Acceptors	2
Total Surface Area	136.63
Relative Psa	0.12142
Polar Surface Area	20.31
Druglikeness	-0.037657
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.81818
Molecular Flexibility	0.49468
Molecular Complexity	0.57807
Fragments	1
Non H Atoms	11
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Sp3 Atoms	9
Symmetric Atoms	2
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	CCCCN(CC1)CCC1=O
InChIKey	InChI=1S/C9H17NO/c1-2-3-6-10-7-4-9(11)5-8-10/h2-8H2,1H3
InChI	OCNWYKFGWLGNHZ-UHFFFAOYSA-N

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N-Butyl-4-Piperidone