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1-Methyl-3-bromo-4-phenyl-4-piperidinol

HCID 435078
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1CCC(O)(c2ccccc2)C(Br)C1
InChIKey
JJIYZHKIFNMGQI-UHFFFAOYSA-N
Molecular formula
C12H16BrNO
Average molar mass
270.17 g/mol
Monoisotopic mass
269.04153

Names & identifiers

Preferred name
1-Methyl-3-bromo-4-phenyl-4-piperidinol
IUPAC
3-bromo-1-methyl-4-phenylpiperidin-4-ol

Names & synonyms

SCHEMBL11560508JJIYZHKIFNMGQI-UHFFFAOYSA-N1-Methyl-3-bromo-4-phenyl-4-piperidinol

Database identifiers

PubChem CID
435078

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
23.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Formal charge
0
Complexity
218

Related reactions

3 records
New reaction record
HRID 1572652 reaction equation
HRID 1572652As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2150391 reaction equation
HRID 2150391As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2163138 reaction equation
HRID 2163138As productuspto-grants-1979_01

Compound notes

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