2-methyl-3-[(2S)-piperazin-2-yl]-1H-indole

C13H17N3 — CID 95441892

IUPAC2-methyl-3-[(2S)-piperazin-2-yl]-1H-indole
SMILESCc1[nH]c2ccccc2c1[C@H]1CNCCN1
InChIInChI=1S/C13H17N3/c1-9-13(12-8-14-6-7-15-12)10-4-2-3-5-11(10)16-9/h2-5,12,14-16H,6-8H2,1H3/t12-/m1/s1
InChIKeyZKKXNHPXHDXBHZ-GFCCVEGCSA-N
MW215.30 g/mol
LogP1.71
Rot. Bonds1

About 2-methyl-3-[(2S)-piperazin-2-yl]-1H-indole

2-methyl-3-[(2S)-piperazin-2-yl]-1H-indole (PubChem CID 95441892) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-methyl-3-[(2S)-piperazin-2-yl]-1H-indole.

Molecular Properties

Compound Name2-methyl-3-[(2S)-piperazin-2-yl]-1H-indole
PubChem CID95441892
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-methyl-3-[(2S)-piperazin-2-yl]-1H-indole
SMILESCc1[nH]c2ccccc2c1[C@H]1CNCCN1
InChIInChI=1S/C13H17N3/c1-9-13(12-8-14-6-7-15-12)10-4-2-3-5-11(10)16-9/h2-5,12,14-16H,6-8H2,1H3/t12-/m1/s1
InChIKeyZKKXNHPXHDXBHZ-GFCCVEGCSA-N
XLogP1.71
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-methyl-3-[(2S)-piperazin-2-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-(aziridin-2-yl)-2-methyl-1H-indole
CID 82468105
3-(2-methyl-1H-indol-3-yl)piperazin-2-one
CID 82288488
3-(azepan-4-yl)-2-methyl-1H-indole
CID 82288280
2-phenyl-1,4,7,10-tetrazacyclododecane
CID 10901007
3-[(2S)-aziridin-2-yl]-2-chloro-1H-indole
CID 55263618
3,3-dimethyl-5-(2-methyl-1H-indol-3-yl)morpholine
CID 82294419
2-(2-methylphenyl)piperazine;dihydrochloride
CID 70608733
3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one
CID 134811497
(2R)-2-(2-fluoro-6-methylphenyl)piperazine
CID 131128781
3-(3,3-dimethyloxiran-2-yl)-2-methyl-1H-indole
CID 116864052
2-methyl-3-(1-methylpyrrolidin-2-yl)-1H-indole
CID 29442
2-methyl-3-(1-piperidin-4-yloxyethyl)-1H-indole
CID 82300707

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2S)-piperazin-2-yl]-1H-indole?
The IUPAC name of 2-methyl-3-[(2S)-piperazin-2-yl]-1H-indole (CID 95441892) is 2-methyl-3-[(2S)-piperazin-2-yl]-1H-indole.
What is the SMILES notation for 2-methyl-3-[(2S)-piperazin-2-yl]-1H-indole?
The canonical SMILES for 2-methyl-3-[(2S)-piperazin-2-yl]-1H-indole is Cc1[nH]c2ccccc2c1[C@H]1CNCCN1.
What is the InChIKey of 2-methyl-3-[(2S)-piperazin-2-yl]-1H-indole?
The InChIKey is ZKKXNHPXHDXBHZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-13(12-8-14-6-7-15-12)10-4-2-3-5-11(10)16-9/h2-5,12,14-16H,6-8H2,1H3/t12-/m1/s1.
What are the key properties of 2-methyl-3-[(2S)-piperazin-2-yl]-1H-indole?
2-methyl-3-[(2S)-piperazin-2-yl]-1H-indole has a molecular weight of 215.30 g/mol, XLogP of 1.71, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2S)-piperazin-2-yl]-1H-indole is sourced from PubChem (CID 95441892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).