4-(4-Benzyl-piperazin-1-yl)-1H-indole

HCID 2728532

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: c1ccc(CN2CCN(c3cccc4[nH]ccc34)CC2)cc1
InChIKey: JLZIBIQTDGMAFZ-UHFFFAOYSA-N
Molecular formula: C19H21N3
Average molar mass: 291.4 g/mol

Names & identifiers

Preferred name: 4-(4-Benzyl-piperazin-1-yl)-1H-indole
IUPAC: 4-(4-benzylpiperazin-1-yl)-1H-indole

Names & synonyms

4-(4-Benzyl-piperazin-1-yl)-1H-indoleCHEMBL328051Maybridge2_000682Oprea1_014756SCHEMBL2161609JLZIBIQTDGMAFZ-UHFFFAOYSA-NBDBM50071857PD181743DB-3962934-[4-(Phenylmethyl)-1-piperazinyl]-1H-indole218933-36-9

Database identifiers

PubChem CID: 2728532
ChEMBL: CHEMBL328051

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 22.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 345

Related reactions

5 records

New reaction record

HRID 203293As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 694167As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1006414As productuspto-grants-2004_09

HRID 1006416As productuspto-grants-2004_09

HRID 1006417As reactantuspto-grants-2004_09

Compound notes

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