1-Methylpiperidine-2,6-diol
Basic information
- CAS
199433-21-1- Standard SMILES
CN1C(O)CCCC1O- InChIKey
CCAZEOVPUHFGGM-UHFFFAOYSA-N- Molecular formula
- C6H13NO2
- Average molar mass
- 131.17 g/mol
- Monoisotopic mass
- 131.09462866
Names & identifiers
- Preferred name
- 1-Methylpiperidine-2,6-diol
- IUPAC
- 1-methylpiperidine-2,6-diol
- English name
- 2,6-Piperidinediol,1-methyl-(9CI)
- Molecular formula
- C6H13NO2
- Molecular weight
- 131.17
Names & synonyms
1-Methylpiperidine-2,6-diol199433-21-12,6-Piperidinediol,1-methyl-(9CI)2,6-Piperidinediol, 1-methyl-
Database identifiers
- CAS
199433-21-1- PubChem CID
- 21363576
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 87.1
Physicochemical properties
- Boiling point
- 234.4 · 234.4±40.0 °C(Predicted)
- Density
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- pka
- 10.59 · 10.59±0.40(Predicted)
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Compound notes
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