Basic information
- CAS
5296-28-6- Standard SMILES
Cc1ccccc1OCC(O)CN1CCCCC1.Cl- InChIKey
CHVLJEGOXABBFU-UHFFFAOYSA-N- Molecular formula
- C15H24ClNO2
- Average molar mass
- 285.81 g/mol
- Monoisotopic mass
- 285.1495567
Names & identifiers
- Preferred name
- alpha-((2-Methylphenoxy)methyl)-1-piperidineethanol hydrochloride
- IUPAC
- 1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
Names & synonyms
MLS0007183305296-28-6CHEMBL1872804NIOSH/TM9311200DTXSID30474957alpha-((2-Methylphenoxy)methyl)-1-piperidineethanol hydrochlorideNSC89443NSC-89443SMR000290598TM93112000SR-01000324842SR-01000324842-1
Show more names
1-Piperidineethanol, alpha-((o-tolyloxy)methyl)-, hydrochloride1-Piperidineethanol, alpha-((2-methylphenoxy)methyl)-, hydrochloride1-(2-Methylphenoxy)-3-(piperidin-1-yl)propan-2-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
5296-28-6- PubChem CID
- 11972088
- DTXSID
DTXSID30474957- ChEMBL
CHEMBL1872804
Properties
Computed structural properties
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 229
Experimental & physicochemical properties
Solubility>42.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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