Structure Info
- Chemspace ID
- CSMB00000193152 (Enamine MADE)
- MFCD
- MFCD00661438
- IUPAC Name
- 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
- Mol formula
- C11H15N3O2
- Mol weight
- 221 Da
- Catalog Number(s)
- 38029-97-9, 4882AB, A139002996, ACM38029979, AD261856, AG321452, AGNPC-0JN80F, BBV-106952, BD204448, CD11132603, CS-0364598, CSC000193152, CSCR00003851585, FCH8886638, G86734, HTS066159, HY-W324068, JH280908, LN00154452, M726180, NBA02997, PBMR019624, TS-00514, Y4184372, Z71176786, ac074954
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -1.47
- Heavy atoms count
- 16
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.454
- Polar surface area (Å)
- 57
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00000193152
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