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2-(4-Methylpiperazin-1-yl)ethyl 4-benzylpiperazine-1-carboxylate

HCID 42635798
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1CCN(CCOC(=O)N2CCN(Cc3ccccc3)CC2)CC1
InChIKey
UNCOMBZLDUUCHW-UHFFFAOYSA-N
Molecular formula
C19H30N4O2
Average molar mass
346.5 g/mol

Names & identifiers

Preferred name
2-(4-Methylpiperazin-1-yl)ethyl 4-benzylpiperazine-1-carboxylate
IUPAC
2-(4-methylpiperazin-1-yl)ethyl 4-benzylpiperazine-1-carboxylate

Names & synonyms

SCHEMBL314343UNCOMBZLDUUCHW-UHFFFAOYSA-N2-(4-methylpiperazin-1-yl)ethyl 4-benzylpiperazine-1-carboxylate

Database identifiers

PubChem CID
42635798

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
39.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
25
Formal charge
0
Complexity
398

Related reactions

2 records
New reaction record
HRID 102128 reaction equation
HRID 102128As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 417977 reaction equation
HRID 417977As productuspto-grants-2012_01

Compound notes

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