| Weight | 219.24 g/mol |
|---|---|
| Formula | C12H13NO3 |
| Hydrogen Acceptors | 4 |
| Hydrogen Donors | 0 |
| Aromatic Rings | 1 |
| Rotatable Bonds | 1 |
1-(1,3-benzodioxol-5-yl)piperidin-4-one (267428-44-4)
267428-44-4
Suppliers
Most-cited Publications
- Discovery of (2S)-1-[4-(2-{6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}ethyl)piperidin-1-yl]-2-hydroxypropan-1-one (MPC-3100), a purine-based Hsp90 inhibitor. (Journal of Medicinal Chemistry, 2012)
Alternate Names
- 267428-44-4
-
SMILESC1CN(CCC1=O)C2=CC3=C(C=C2)OCO3
-
InChIKeyYUEKZMYUVRHVQM-UHFFFAOYSA-N
Estimated Properties
| Boiling Point | 312.88 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 345.74 C | EPI Suite |
| Density | 1.2 g/cm3 | EPA T.E.S.T. |
| Flash Point | 168.37 C | EPA T.E.S.T. |
| Melting Point | 123.82 C | EPI Suite |
| Water Solubility | 480.6 mg/L | EPA T.E.S.T. |
| Water Solubility | 1951.8 mg/L | EPI Suite |
External Links
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1-(1,3-benzodioxol-5-yl)piperidin-4-one
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