2,3,3a,4-tetrahydro-1H-indole;piperazine

C12H21N3 — CID 162052706

IUPAC2,3,3a,4-tetrahydro-1H-indole;piperazine
SMILESC1=CCC2CCNC2=C1.C1CNCCN1
InChIInChI=1S/C8H11N.C4H10N2/c1-2-4-8-7(3-1)5-6-9-8;1-2-6-4-3-5-1/h1-2,4,7,9H,3,5-6H2;5-6H,1-4H2
InChIKeyYYTIWIWGIDGIAR-UHFFFAOYSA-N
MW207.32 g/mol
LogP0.62
Rot. Bonds

About 2,3,3a,4-tetrahydro-1H-indole;piperazine

2,3,3a,4-tetrahydro-1H-indole;piperazine (PubChem CID 162052706) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-indole;piperazine.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-indole;piperazine
PubChem CID162052706
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2,3,3a,4-tetrahydro-1H-indole;piperazine
SMILESC1=CCC2CCNC2=C1.C1CNCCN1
InChIInChI=1S/C8H11N.C4H10N2/c1-2-4-8-7(3-1)5-6-9-8;1-2-6-4-3-5-1/h1-2,4,7,9H,3,5-6H2;5-6H,1-4H2
InChIKeyYYTIWIWGIDGIAR-UHFFFAOYSA-N
XLogP0.62
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,3,3a,4-tetrahydro-1H-indole;piperazine 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

Tetrahydroindole
CID 18315885
Tetrahydrobenzindole
CID 87369041
Tetrahydro 1h cyclopenta[b]pyridine
CID 129815884
2-Aminotetrahydroindole
CID 137321249
1,2,2,3,3,3a,4-heptadeuterio-4H-indole
CID 140923187
3-fluoro-2,3,3a,4-tetrahydro-1H-indole
CID 149712162
3a-Aminoindoline
CID 162787524
2,3,3a,4-tetrahydro-1H-indol-6-amine
CID 21959654
3-(piperazin-1-ylmethyl)-3a,7a-dihydro-1H-indole
CID 58044811
2,3,3a,4,5,9,9a,9b-octahydro-1H-pyrrolo[3,4-c]quinoline
CID 67211510
2-[(2S)-pyrrolidin-2-yl]-3a,7a-dihydro-1H-indole
CID 68059187
4b,8a,9,9a-tetrahydro-4aH-carbazol-1-amine
CID 68116569

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-indole;piperazine?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-indole;piperazine (CID 162052706) is 2,3,3a,4-tetrahydro-1H-indole;piperazine.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-indole;piperazine?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-indole;piperazine is C1=CCC2CCNC2=C1.C1CNCCN1.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-indole;piperazine?
The InChIKey is YYTIWIWGIDGIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C4H10N2/c1-2-4-8-7(3-1)5-6-9-8;1-2-6-4-3-5-1/h1-2,4,7,9H,3,5-6H2;5-6H,1-4H2.
What are the key properties of 2,3,3a,4-tetrahydro-1H-indole;piperazine?
2,3,3a,4-tetrahydro-1H-indole;piperazine has a molecular weight of 207.32 g/mol, XLogP of 0.62, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-indole;piperazine is sourced from PubChem (CID 162052706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).