4-Bromo-3-[(piperidin-4-yl)methyl]phenol

HCID 9943337

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Oc1ccc(Br)c(CC2CCNCC2)c1
InChIKey: XQRAGAQIBHMBGF-UHFFFAOYSA-N
Molecular formula: C12H16BrNO
Average molar mass: 270.17 g/mol

Names & identifiers

Preferred name: 4-Bromo-3-[(piperidin-4-yl)methyl]phenol
IUPAC: 4-bromo-3-(piperidin-4-ylmethyl)phenol

Names & synonyms

4-bromo-3-[(piperidin-4-yl)methyl]phenol391954-33-9SCHEMBL5207446XQRAGAQIBHMBGF-UHFFFAOYSA-N4-(2-bromo-5-hydroxybenzyl)piperidine4-Bromo-3-(4-piperidinylmethyl)phenolDB-205800EN300-1910794

Database identifiers

PubChem CID: 9943337

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 194

Related reactions

4 records

New reaction record

HRID 113351As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1006057As productuspto-grants-2004_09

HRID 1006062As reactantuspto-grants-2004_09

HRID 1142849As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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