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Chem 13 Dimethylpiperidin 4 One Ncc | Cheminformatics
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1,3-Dimethylpiperidin-4-one


  • SKU Code: CH142076
Chemical Name - 1,3-Dimethylpiperidin-4-one
Mol Weight - 127.186
Smiles - CC(CN(C)CC1)C1=O
InChI - BGDGMIWDPMJYPP-UHFFFAOYSA-N
InChIKey - InChI=1S/C7H13NO/c1-6-5-8(2)4-3-7(6)9/h6H,3-5H2,1-2H3
Property Name Property Value
Mol Name1,3-Dimethylpiperidin-4-one
Molweight127.186
Monoisotopic Mass127.099714
Clogp0.5583
Clogs-0.575
H Acceptors2
Total Surface Area106.35
Relative Psa0.15599
Polar Surface Area20.31
Druglikeness6.0217
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.66667
Molecular Flexibility0.21753
Molecular Complexity0.64124
Fragments1
Non H Atoms9
Non Ch Atoms2
Electronegative Atoms2
Stereo Centers1
Rings Closures1
Small Rings1
Sp3 Atoms7
Amines1
Alkyl Amines1
Basic Nitrogens1
SmilesCC(CN(C)CC1)C1=O
InChIKeyInChI=1S/C7H13NO/c1-6-5-8(2)4-3-7(6)9/h6H,3-5H2,1-2H3
InChIBGDGMIWDPMJYPP-UHFFFAOYSA-N

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