Compound 70
  CheckMol                        TMF02:r0:m0
MF=C8H15NO MW=141.21
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2938    0.7597   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2819    2.2790   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5876    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5758    3.0387   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8814    0.7834   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8696    2.2909   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1634    3.0506   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4572    2.3146   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7510    3.0743   -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
  6  7  1  0  1  0  0
M  END

2D Structure

1-Propyl-4-piperidone

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Chemical Name - 1-Propyl-4-piperidone
Mol Weight - 141.213
Smiles - CCCN(CC1)CCC1=O
InChI - YGDZKYYCJUNORF-UHFFFAOYSA-N
InChIKey - InChI=1S/C8H15NO/c1-2-5-9-6-3-8(10)4-7-9/h2-7H2,1H3

Property Name	Property Value
Mol Name	1-Propyl-4-piperidone
Molweight	141.213
Monoisotopic Mass	141.115364
Clogp	1.1497
Clogs	-0.985
H Acceptors	2
Total Surface Area	122.87
Relative Psa	0.13502
Polar Surface Area	20.31
Druglikeness	1.2588
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.8
Molecular Flexibility	0.45622
Molecular Complexity	0.55452
Fragments	1
Non H Atoms	10
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Sp3 Atoms	8
Symmetric Atoms	2
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	CCCN(CC1)CCC1=O
InChIKey	InChI=1S/C8H15NO/c1-2-5-9-6-3-8(10)4-7-9/h2-7H2,1H3
InChI	YGDZKYYCJUNORF-UHFFFAOYSA-N

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1 — 1-Propyl-4-piperidone | 2 — 1-Propyl-4-piperidone