Chem 1 Ethyl 4 Piperidone Ncc | Cheminformatics
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2D Structure

1-Ethyl-4-piperidone


  • SKU Code: CH142075
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Chemical Name - 1-Ethyl-4-piperidone
Mol Weight - 127.186
Smiles - CCN(CC1)CCC1=O
InChI - BDVKAMAALQXGLM-UHFFFAOYSA-N
InChIKey - InChI=1S/C7H13NO/c1-2-8-5-3-7(9)4-6-8/h2-6H2,1H3
Property Name Property Value
Mol Name1-Ethyl-4-piperidone
Molweight127.186
Monoisotopic Mass127.099714
Clogp0.6953
Clogs-0.715
H Acceptors2
Total Surface Area109.11
Relative Psa0.15205
Polar Surface Area20.31
Druglikeness1.8958
Mutagenicnone
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Shape Index0.77778
Molecular Flexibility0.35038
Molecular Complexity0.62123
Fragments1
Non H Atoms9
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds1
Rings Closures1
Small Rings1
Sp3 Atoms7
Symmetric Atoms2
Amines1
Alkyl Amines1
Basic Nitrogens1
SmilesCCN(CC1)CCC1=O
InChIKeyInChI=1S/C7H13NO/c1-2-8-5-3-7(9)4-6-8/h2-6H2,1H3
InChIBDVKAMAALQXGLM-UHFFFAOYSA-N

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