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2-Chloro-4-(1-piperazinyl)benzenemethanol

HCID 13457101
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
OCc1ccc(N2CCNCC2)cc1Cl
InChIKey
WBUUYFDKFGLHCV-UHFFFAOYSA-N
Molecular formula
C11H15ClN2O
Average molar mass
226.7 g/mol

Names & identifiers

Preferred name
2-Chloro-4-(1-piperazinyl)benzenemethanol
IUPAC
(2-chloro-4-piperazin-1-ylphenyl)methanol

Names & synonyms

Oprea1_810339SCHEMBL11004107WBUUYFDKFGLHCV-UHFFFAOYSA-N2-chloro-4-(1-piperazinyl)benzenemethanol2-chloro-4-(1-piperaziny)-benzenemethanol

Database identifiers

PubChem CID
13457101

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
35.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
197

Related reactions

5 records
New reaction record
HRID 462423 reaction equation
HRID 462423As reactantuspto-grants-1985_05
HRID 462425 reaction equation
HRID 462425As reactantuspto-grants-1985_05
HRID 462426 reaction equation
HRID 462426As reactantuspto-grants-1985_05
HRID 666135 reaction equation
HRID 666135As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 812423 reaction equation
HRID 812423As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes