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1-(4-Chlorobenzyl)-2,5-dimethyl-4-(3-chloropropyl)piperazine

HCID 20153190
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1CN(Cc2ccc(Cl)cc2)C(C)CN1CCCCl
InChIKey
TYTJYXHYLDTDAU-UHFFFAOYSA-N
Molecular formula
C16H24Cl2N2
Average molar mass
315.3 g/mol

Names & identifiers

Preferred name
1-(4-Chlorobenzyl)-2,5-dimethyl-4-(3-chloropropyl)piperazine
IUPAC
1-[(4-chlorophenyl)methyl]-4-(3-chloropropyl)-2,5-dimethylpiperazine

Names & synonyms

SCHEMBL10664305TYTJYXHYLDTDAU-UHFFFAOYSA-N1-(4-chlorobenzyl)-2,5-dimethyl-4-(3-chloropropyl)piperazine

Database identifiers

PubChem CID
20153190

Properties

Computed structural properties

XLogP
4
Topological polar surface area
6.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
20
Formal charge
0
Complexity
280

Related reactions

5 records
New reaction record
HRID 3810 reaction equation
HRID 3810As productuspto-grants-1988_02
HRID 3811 reaction equation
HRID 3811As reactantuspto-grants-1988_02
HRID 123614 reaction equation
HRID 123614As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 2290867 reaction equation
HRID 2290867As productuspto-grants-1986_10
HRID 2290868 reaction equation
HRID 2290868As reactantuspto-grants-1986_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes