5-piperazin-1-yloxy-1H-indole

C12H15N3O — CID 57025171

IUPAC5-piperazin-1-yloxy-1H-indole
SMILESc1cc2cc(ON3CCNCC3)ccc2[nH]1
InChIInChI=1S/C12H15N3O/c1-2-12-10(3-4-14-12)9-11(1)16-15-7-5-13-6-8-15/h1-4,9,13-14H,5-8H2
InChIKeyWKFICFPYXNNXGX-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.37
Rot. Bonds2

About 5-piperazin-1-yloxy-1H-indole

5-piperazin-1-yloxy-1H-indole (PubChem CID 57025171) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-piperazin-1-yloxy-1H-indole.

Molecular Properties

Compound Name5-piperazin-1-yloxy-1H-indole
PubChem CID57025171
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-piperazin-1-yloxy-1H-indole
SMILESc1cc2cc(ON3CCNCC3)ccc2[nH]1
InChIInChI=1S/C12H15N3O/c1-2-12-10(3-4-14-12)9-11(1)16-15-7-5-13-6-8-15/h1-4,9,13-14H,5-8H2
InChIKeyWKFICFPYXNNXGX-UHFFFAOYSA-N
XLogP1.37
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yloxy-1H-indole?
The IUPAC name of 5-piperazin-1-yloxy-1H-indole (CID 57025171) is 5-piperazin-1-yloxy-1H-indole.
What is the SMILES notation for 5-piperazin-1-yloxy-1H-indole?
The canonical SMILES for 5-piperazin-1-yloxy-1H-indole is c1cc2cc(ON3CCNCC3)ccc2[nH]1.
What is the InChIKey of 5-piperazin-1-yloxy-1H-indole?
The InChIKey is WKFICFPYXNNXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-12-10(3-4-14-12)9-11(1)16-15-7-5-13-6-8-15/h1-4,9,13-14H,5-8H2.
What are the key properties of 5-piperazin-1-yloxy-1H-indole?
5-piperazin-1-yloxy-1H-indole has a molecular weight of 217.27 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yloxy-1H-indole is sourced from PubChem (CID 57025171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).