2-methyl-5-piperidin-4-ylazaindigole

C9H15InN2 — CID 177255070

IUPAC2-methyl-5-piperidin-4-ylazaindigole
SMILESC[In]1C=CC(C2CCNCC2)=N1
InChIInChI=1S/C8H12N2.CH3.In/c1-2-8(9)7-3-5-10-6-4-7;;/h1-2,7,10H,3-6H2;1H3;/q-1;;+1
InChIKeyDEUITWLUWCUIDA-UHFFFAOYSA-N
MW266.05 g/mol
LogP1.16
Rot. Bonds1

About 2-methyl-5-piperidin-4-ylazaindigole

2-methyl-5-piperidin-4-ylazaindigole (PubChem CID 177255070) has the molecular formula C9H15InN2 and a molecular weight of 266.05 g/mol. Its IUPAC name is 2-methyl-5-piperidin-4-ylazaindigole.

Molecular Properties

Compound Name2-methyl-5-piperidin-4-ylazaindigole
PubChem CID177255070
Molecular FormulaC9H15InN2
Molecular Weight266.05 g/mol
Exact Mass266.03
IUPAC Name2-methyl-5-piperidin-4-ylazaindigole
SMILESC[In]1C=CC(C2CCNCC2)=N1
InChIInChI=1S/C8H12N2.CH3.In/c1-2-8(9)7-3-5-10-6-4-7;;/h1-2,7,10H,3-6H2;1H3;/q-1;;+1
InChIKeyDEUITWLUWCUIDA-UHFFFAOYSA-N
XLogP1.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.05
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-4-ylazaindigole?
The IUPAC name of 2-methyl-5-piperidin-4-ylazaindigole (CID 177255070) is 2-methyl-5-piperidin-4-ylazaindigole.
What is the SMILES notation for 2-methyl-5-piperidin-4-ylazaindigole?
The canonical SMILES for 2-methyl-5-piperidin-4-ylazaindigole is C[In]1C=CC(C2CCNCC2)=N1.
What is the InChIKey of 2-methyl-5-piperidin-4-ylazaindigole?
The InChIKey is DEUITWLUWCUIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.CH3.In/c1-2-8(9)7-3-5-10-6-4-7;;/h1-2,7,10H,3-6H2;1H3;/q-1;;+1.
What are the key properties of 2-methyl-5-piperidin-4-ylazaindigole?
2-methyl-5-piperidin-4-ylazaindigole has a molecular weight of 266.05 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-4-ylazaindigole is sourced from PubChem (CID 177255070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).