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Chem 1 Methyl 4 Piperidone Ncc | Cheminformatics
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1-Methyl-4-piperidone


  • SKU Code: CH142067
Chemical Name - 1-Methyl-4-piperidone
Mol Weight - 113.159
Smiles - CN(CC1)CCC1=O
InChI - HUUPVABNAQUEJW-UHFFFAOYSA-N
InChIKey - InChI=1S/C6H11NO/c1-7-4-2-6(8)3-5-7/h2-5H2,1H3
Property Name Property Value
Mol Name1-Methyl-4-piperidone
Molweight113.159
Monoisotopic Mass113.084064
Clogp0.289
Clogs-0.415
H Acceptors2
Total Surface Area95.35
Relative Psa0.17399
Polar Surface Area20.31
Druglikeness4.0324
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Shape Index0.75
Molecular Flexibility0.17106
Molecular Complexity0.54931
Fragments1
Non H Atoms8
Non Ch Atoms2
Electronegative Atoms2
Rings Closures1
Small Rings1
Sp3 Atoms6
Symmetric Atoms2
Amines1
Alkyl Amines1
Basic Nitrogens1
SmilesCN(CC1)CCC1=O
InChIKeyInChI=1S/C6H11NO/c1-7-4-2-6(8)3-5-7/h2-5H2,1H3
InChIHUUPVABNAQUEJW-UHFFFAOYSA-N

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