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2-[2-Hydroxy-4-(2-methyloctan-2-yl)phenyl]-1-prop-2-enylpiperidin-4-ol

HCID 20274352
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Basic information

Standard SMILES
C=CCN1CCC(O)CC1c1ccc(C(C)(C)CCCCCC)cc1O
InChIKey
SLLBBYGRFMDYCZ-UHFFFAOYSA-N
Molecular formula
C23H37NO2
Average molar mass
359.5 g/mol
Monoisotopic mass
359.28242942

Names & identifiers

Preferred name
2-[2-Hydroxy-4-(2-methyloctan-2-yl)phenyl]-1-prop-2-enylpiperidin-4-ol
IUPAC
2-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1-prop-2-enylpiperidin-4-ol

Names & synonyms

SCHEMBL11012907

Database identifiers

PubChem CID
20274352

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
43.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
9
Heavy atoms
26
Formal charge
0
Complexity
422

Related reactions

1 records
New reaction record
HRID 306809 reaction equation
HRID 306809As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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