7-piperazin-1-yl-1H-indole

C12H15N3 — CID 3069502

IUPAC7-piperazin-1-yl-1H-indole
SMILESc1cc(N2CCNCC2)c2[nH]ccc2c1
InChIInChI=1S/C12H15N3/c1-2-10-4-5-14-12(10)11(3-1)15-8-6-13-7-9-15/h1-5,13-14H,6-9H2
InChIKeyXKDAUEWDPSMDGG-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.58
Rot. Bonds1

About 7-piperazin-1-yl-1H-indole

7-piperazin-1-yl-1H-indole (PubChem CID 3069502) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 7-piperazin-1-yl-1H-indole.

Molecular Properties

Compound Name7-piperazin-1-yl-1H-indole
PubChem CID3069502
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name7-piperazin-1-yl-1H-indole
SMILESc1cc(N2CCNCC2)c2[nH]ccc2c1
InChIInChI=1S/C12H15N3/c1-2-10-4-5-14-12(10)11(3-1)15-8-6-13-7-9-15/h1-5,13-14H,6-9H2
InChIKeyXKDAUEWDPSMDGG-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 7-piperazin-1-yl-1H-indole?
The IUPAC name of 7-piperazin-1-yl-1H-indole (CID 3069502) is 7-piperazin-1-yl-1H-indole.
What is the SMILES notation for 7-piperazin-1-yl-1H-indole?
The canonical SMILES for 7-piperazin-1-yl-1H-indole is c1cc(N2CCNCC2)c2[nH]ccc2c1.
What is the InChIKey of 7-piperazin-1-yl-1H-indole?
The InChIKey is XKDAUEWDPSMDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-10-4-5-14-12(10)11(3-1)15-8-6-13-7-9-15/h1-5,13-14H,6-9H2.
What are the key properties of 7-piperazin-1-yl-1H-indole?
7-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 7-piperazin-1-yl-1H-indole is sourced from PubChem (CID 3069502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).