3-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-b]pyridine

C17H25N3 — CID 11843029

IUPAC3-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-b]pyridine
SMILESCc1cn(C2CC(C)(C)NC(C)(C)C2)c2ncccc12
InChIInChI=1S/C17H25N3/c1-12-11-20(15-14(12)7-6-8-18-15)13-9-16(2,3)19-17(4,5)10-13/h6-8,11,13,19H,9-10H2,1-5H3
InChIKeyJGYNBMQUBASGAK-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.83
Rot. Bonds1

About 3-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-b]pyridine

3-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-b]pyridine (PubChem CID 11843029) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-b]pyridine
PubChem CID11843029
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-b]pyridine
SMILESCc1cn(C2CC(C)(C)NC(C)(C)C2)c2ncccc12
InChIInChI=1S/C17H25N3/c1-12-11-20(15-14(12)7-6-8-18-15)13-9-16(2,3)19-17(4,5)10-13/h6-8,11,13,19H,9-10H2,1-5H3
InChIKeyJGYNBMQUBASGAK-UHFFFAOYSA-N
XLogP3.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-b]pyridine (CID 11843029) is 3-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-b]pyridine is Cc1cn(C2CC(C)(C)NC(C)(C)C2)c2ncccc12.
What is the InChIKey of 3-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is JGYNBMQUBASGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12-11-20(15-14(12)7-6-8-18-15)13-9-16(2,3)19-17(4,5)10-13/h6-8,11,13,19H,9-10H2,1-5H3.
What are the key properties of 3-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-b]pyridine?
3-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 271.41 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 11843029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).