8-(1-piperazinyl)Quinoline

HCID 11830786

Substructure search Find similar structures

Basic information

Standard SMILES: c1cnc2c(N3CCNCC3)cccc2c1
InChIKey: DCUZDOXGNVJQQL-UHFFFAOYSA-N
Molecular formula: C13H15N3
Average molar mass: 213.28 g/mol

Names & identifiers

Preferred name: 8-(1-piperazinyl)Quinoline
IUPAC: 8-piperazin-1-ylquinoline

Names & synonyms

8-piperazin-1-ylquinoline8-(1-piperazinyl)Quinoline8-(Piperazin-1-yl)quinoline1-(8-quinolyl)piperazine1-(8-quinolyl]piperazine98223-97-38-piperazino quinoline8-piperazino-quinolineN-(8-quinolyl)piperazine8-piperazin-1-yl-quinoline8-(Piperazin-1-yl)-quinolineSCHEMBL1045944

Show more names

CHEMBL3681350US8835436, Example 2DCUZDOXGNVJQQL-UHFFFAOYSA-NBDBM131885AKOS017559355DA-00066

Database identifiers

PubChem CID: 11830786
ChEMBL: CHEMBL3681350

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 225

Related reactions

25 records

New reaction record

HRID 112707As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 153710As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 180400As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 182186As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 294087As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 296763As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 329401As reactantuspto-grants-1990_01

HRID 428517As productuspto-grants-2001_11

Linked notes

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