3-Chloro-4-((4-methylpiperazin-1-yl)methyl)aniline

HCID 28721933

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CN1CCN(Cc2ccc(N)cc2Cl)CC1
InChIKey: SDCSKGOGVBTYFN-UHFFFAOYSA-N
Molecular formula: C12H18ClN3
Average molar mass: 239.74 g/mol

Names & identifiers

Preferred name: 3-Chloro-4-((4-methylpiperazin-1-yl)methyl)aniline
IUPAC: 3-chloro-4-[(4-methylpiperazin-1-yl)methyl]aniline

Names & synonyms

3-Chloro-4-((4-methylpiperazin-1-yl)methyl)aniline943320-67-0SCHEMBL591420SCHEMBL29672011SDCSKGOGVBTYFN-UHFFFAOYSA-NAKOS011245241DB-1939123-Chloro-4((4-methylpiperazin-1-yl)methyl)aniline3-Chloro-4-[(4-methyl-1-piperazinyl)methyl]benzenamine

Database identifiers

PubChem CID: 28721933

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 32.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 216

Related reactions

8 records

New reaction record

HRID 302808As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 923227As productuspto-grants-2016_03

HRID 1137017As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1255940As productuspto-grants-2013_06

HRID 1527875As productuspto-grants-2015_07

HRID 1622544As productuspto-grants-2014_07

HRID 2059800As productuspto-grants-2012_10

HRID 2059801As reactantuspto-grants-2012_10

Compound notes

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