2,5-Dimethylpiperidin-4-ol
Basic information
- CAS
39251-56-4- Standard SMILES
CC1CC(O)C(C)CN1- InChIKey
JDAPNCWTYAIVCT-UHFFFAOYSA-N- Molecular formula
- C7H15NO
- Average molar mass
- 129.2 g/mol
- Monoisotopic mass
- 129.1153641
Names & identifiers
- Preferred name
- 2,5-Dimethylpiperidin-4-ol
- IUPAC
- 2,5-dimethylpiperidin-4-ol
- English name
- 2,5-Dimethyl-4-piperidinol
- Molecular formula
- C7H15NO
- Molecular weight
- 129.2
Names & synonyms
2,5-dimethylpiperidin-4-ol39251-56-42,5-DIMETHYL-4-PIPERIDINOLPiperidin-4-ol, 2,5-dimethyl-2,5-dimethyl-4-piperidolOprea1_447072MLS0010297802,5-Dimethyl-piperidin-4-olSCHEMBL3003502SCHEMBL8351612CHEMBL1344552DTXSID00402267
Show more names
4-Piperidinol, 2,5-dimethyl-
JDAPNCWTYAIVCT-UHFFFAOYSA-NHMS2792O19STL290472AKOS005287383SMR000427155(2S,4S,5R)-2,5-dimethylpiperidin-4-olDB-087009ST45053832
Database identifiers
- CAS
39251-56-4- PubChem CID
- 4352103
- DTXSID
DTXSID00402267- ChEMBL
CHEMBL1344552
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.9
Experimental & physicochemical properties
Solubility>19.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 96 · 96-97 °C
- Boiling point
- 100 · 100-105 °C(Press: 2 Torr)
- Density
- 0.926 · 0.926±0.06 g/cm3(Predicted)
- pka
- 14.97 · 14.97±0.60(Predicted)
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Compound notes
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