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1-(2-Phenoxybutyl)-4-benzylpiperazine

HCID 10758351
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC(CN1CCN(Cc2ccccc2)CC1)Oc1ccccc1
InChIKey
CEZNFMSZJMNXCA-UHFFFAOYSA-N
Molecular formula
C21H28N2O
Average molar mass
324.5 g/mol

Names & identifiers

Preferred name
1-(2-Phenoxybutyl)-4-benzylpiperazine
IUPAC
1-benzyl-4-(2-phenoxybutyl)piperazine

Names & synonyms

SCHEMBL8031455CEZNFMSZJMNXCA-UHFFFAOYSA-N1-(2-PHENOXYBUTYL)-4-BENZYLPIPERAZINE

Database identifiers

PubChem CID
10758351

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
15.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
24
Formal charge
0
Complexity
329

Related reactions

3 records
New reaction record
HRID 1224535 reaction equation
HRID 1224535As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1378328 reaction equation
HRID 1378328As productuspto-grants-1997_09
HRID 2294881 reaction equation
HRID 2294881As productuspto-grants-1997_11

Compound notes

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