Details of the Drug

General Information of Drug (ID: DMM1RCS)

Drug Name

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

Synonyms

4-(1-Piperazinyl)-1H-indole; 84807-09-0; 4-(piperazin-1-yl)-1H-indole; 4-Piperazino-1H-indole; 1H-Indole, 4-(1-piperazinyl)-; 4-(Piperazino)indole; 4-piperazin-1-yl-1H-indole; 1-(4-indolyl)piperazine; CHEMBL200234; YZKSXUIOKWQABW-UHFFFAOYSA-N; AK-26360; W-206959; 1H-Indole-4-(1-piperazinyl)dihydrochloride; 4-piperazinoindole; 4-piperazino-indole; PubChem22668; AC1LC5AN; 1H-indol-4-ylpiperazine; 4-(1-piperazinyl)indole; 1-(indol-4yl)piperazine; 1-(indol-4yl)-piperazine; 1-(indol-4-yl)piperazine; 1-(4-indolyl)-piperazine

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

201.27

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C12H15N3
IUPAC Name: 4-piperazin-1-yl-1H-indole
Canonical SMILES: C1CN(CCN1)C2=CC=CC3=C2C=CN3
InChI: InChI=1S/C12H15N3/c1-2-11-10(4-5-14-11)12(3-1)15-8-6-13-7-9-15/h1-5,13-14H,6-9H2
InChIKey: YZKSXUIOKWQABW-UHFFFAOYSA-N