4-piperazin-1-yl-1H-indole

C12H15N3 — CID 594590

IUPAC4-piperazin-1-yl-1H-indole
SMILESc1cc(N2CCNCC2)c2cc[nH]c2c1
InChIInChI=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
InChIKeyYZKSXUIOKWQABW-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.58
Rot. Bonds1

About 4-piperazin-1-yl-1H-indole

4-piperazin-1-yl-1H-indole (PubChem CID 594590) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-piperazin-1-yl-1H-indole.

Molecular Properties

Compound Name4-piperazin-1-yl-1H-indole
PubChem CID594590
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name4-piperazin-1-yl-1H-indole
SMILESc1cc(N2CCNCC2)c2cc[nH]c2c1
InChIInChI=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
InChIKeyYZKSXUIOKWQABW-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

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-1H-indole?
The IUPAC name of 4-piperazin-1-yl-1H-indole (CID 594590) is 4-piperazin-1-yl-1H-indole.
What is the SMILES notation for 4-piperazin-1-yl-1H-indole?
The canonical SMILES for 4-piperazin-1-yl-1H-indole is c1cc(N2CCNCC2)c2cc[nH]c2c1.
What is the InChIKey of 4-piperazin-1-yl-1H-indole?
The InChIKey is YZKSXUIOKWQABW-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of 4-piperazin-1-yl-1H-indole?
4-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 4-piperazin-1-yl-1H-indole is sourced from PubChem (CID 594590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).