3-piperazin-1-yl-1H-indole

C12H15N3 — CID 19379845

IUPAC3-piperazin-1-yl-1H-indole
SMILESc1ccc2c(N3CCNCC3)c[nH]c2c1
InChIInChI=1S/C12H15N3/c1-2-4-11-10(3-1)12(9-14-11)15-7-5-13-6-8-15/h1-4,9,13-14H,5-8H2
InChIKeyVASVHOLFOSSBKT-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.58
Rot. Bonds1

About 3-piperazin-1-yl-1H-indole

3-piperazin-1-yl-1H-indole (PubChem CID 19379845) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-piperazin-1-yl-1H-indole.

Molecular Properties

Compound Name3-piperazin-1-yl-1H-indole
PubChem CID19379845
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-piperazin-1-yl-1H-indole
SMILESc1ccc2c(N3CCNCC3)c[nH]c2c1
InChIInChI=1S/C12H15N3/c1-2-4-11-10(3-1)12(9-14-11)15-7-5-13-6-8-15/h1-4,9,13-14H,5-8H2
InChIKeyVASVHOLFOSSBKT-UHFFFAOYSA-N
XLogP1.58
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-piperazin-1-yl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-piperazin-1-yl-1H-indole;dihydrochloride
CID 172915789
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
2-[4-(1H-indol-3-yl)piperazin-2-yl]ethanethiol
CID 118146233
5-fluoro-3-(2-piperazin-1-ylphenyl)sulfanyl-1H-indole
CID 11695567
3-(4-piperazin-1-ylphenyl)sulfonyl-1H-indole
CID 10450002
3-[3-[(aminodiazenyl)methyl]piperazin-1-yl]-1H-indole
CID 118146319
3-(2-piperazin-1-ylpropan-2-yl)-1H-indole
CID 82293905
3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171284996
1-(2-chlorophenyl)piperazine
CID 162116490
3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 95456258
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1H-indole?
The IUPAC name of 3-piperazin-1-yl-1H-indole (CID 19379845) is 3-piperazin-1-yl-1H-indole.
What is the SMILES notation for 3-piperazin-1-yl-1H-indole?
The canonical SMILES for 3-piperazin-1-yl-1H-indole is c1ccc2c(N3CCNCC3)c[nH]c2c1.
What is the InChIKey of 3-piperazin-1-yl-1H-indole?
The InChIKey is VASVHOLFOSSBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-4-11-10(3-1)12(9-14-11)15-7-5-13-6-8-15/h1-4,9,13-14H,5-8H2.
What are the key properties of 3-piperazin-1-yl-1H-indole?
3-piperazin-1-yl-1H-indole has a molecular weight of 201.27 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1H-indole is sourced from PubChem (CID 19379845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).