Basic information
- Standard SMILES
C=CCN1CCC(O)CC1c1ccc(C(C)(C)CCCCCC)cc1OCc1ccccc1- InChIKey
CZEJHBVUNVRPIJ-UHFFFAOYSA-N- Molecular formula
- C30H43NO2
- Average molar mass
- 449.7 g/mol
- Monoisotopic mass
- 449.32937961
Names & identifiers
- Preferred name
- 2-[4-(2-Methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-prop-2-enylpiperidin-4-ol
- IUPAC
- 2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-prop-2-enylpiperidin-4-ol
Names & synonyms
SCHEMBL11009034
Database identifiers
- PubChem CID
- 20274338
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 555
Related reactions
2 records
Compound notes
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