3-piperidin-1-yl-1H-azaindigole

C8H13InN2 — CID 141234527

IUPAC3-piperidin-1-yl-1H-azaindigole
SMILESC1=CC(N2CCCCC2)=[In]N1
InChIInChI=1S/C8H13N2.In/c9-5-4-8-10-6-2-1-3-7-10;/h4-5,9H,1-3,6-7H2;/q-1;+1/b5-4-;
InChIKeyMDVRYAZQQMOPJI-MKWAYWHRSA-N
MW252.02 g/mol
LogP0.34
Rot. Bonds1

About 3-piperidin-1-yl-1H-azaindigole

3-piperidin-1-yl-1H-azaindigole (PubChem CID 141234527) has the molecular formula C8H13InN2 and a molecular weight of 252.02 g/mol. Its IUPAC name is 3-piperidin-1-yl-1H-azaindigole.

Molecular Properties

Compound Name3-piperidin-1-yl-1H-azaindigole
PubChem CID141234527
Molecular FormulaC8H13InN2
Molecular Weight252.02 g/mol
Exact Mass252.01
IUPAC Name3-piperidin-1-yl-1H-azaindigole
SMILESC1=CC(N2CCCCC2)=[In]N1
InChIInChI=1S/C8H13N2.In/c9-5-4-8-10-6-2-1-3-7-10;/h4-5,9H,1-3,6-7H2;/q-1;+1/b5-4-;
InChIKeyMDVRYAZQQMOPJI-MKWAYWHRSA-N
XLogP0.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.02
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-1H-azaindigole?
The IUPAC name of 3-piperidin-1-yl-1H-azaindigole (CID 141234527) is 3-piperidin-1-yl-1H-azaindigole.
What is the SMILES notation for 3-piperidin-1-yl-1H-azaindigole?
The canonical SMILES for 3-piperidin-1-yl-1H-azaindigole is C1=CC(N2CCCCC2)=[In]N1.
What is the InChIKey of 3-piperidin-1-yl-1H-azaindigole?
The InChIKey is MDVRYAZQQMOPJI-MKWAYWHRSA-N. The full InChI is InChI=1S/C8H13N2.In/c9-5-4-8-10-6-2-1-3-7-10;/h4-5,9H,1-3,6-7H2;/q-1;+1/b5-4-;.
What are the key properties of 3-piperidin-1-yl-1H-azaindigole?
3-piperidin-1-yl-1H-azaindigole has a molecular weight of 252.02 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-1H-azaindigole is sourced from PubChem (CID 141234527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).