Basic information
- CAS
61170-97-6- Standard SMILES
Cc1ccc(CC2(O)CC(C)N(C)CC2C)c(C)c1- InChIKey
WXJABLBQAGQBGM-UHFFFAOYSA-N- Molecular formula
- C17H27NO
- Average molar mass
- 261.4 g/mol
- Monoisotopic mass
- 261.20926449
Names & identifiers
- Preferred name
- 4-Piperidinol, 4-[(2,4-dimethylphenyl)methyl]-1,2,5-trimethyl-
- IUPAC
- 4-[(2,4-dimethylphenyl)methyl]-1,2,5-trimethylpiperidin-4-ol
Names & synonyms
MLS000079800HMS2319A1561170-97-64-[(2,4-dimethylphenyl)methyl]-1,2,5-trimethylpiperidin-4-ol4-Piperidinol, 4-[(2,4-dimethylphenyl)methyl]-1,2,5-trimethyl-Oprea1_807675CHEMBL1305604DTXSID40349723SMR000039456
Database identifiers
- CAS
61170-97-6- PubChem CID
- 658447
- DTXSID
DTXSID40349723- ChEMBL
CHEMBL1305604
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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