1-methyl-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)piperidin-3-amine

C14H20N4 — CID 82385444

IUPAC1-methyl-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)piperidin-3-amine
SMILESCN1CC(N)CC(c2cn(C)c3ncccc23)C1
InChIInChI=1S/C14H20N4/c1-17-7-10(6-11(15)8-17)13-9-18(2)14-12(13)4-3-5-16-14/h3-5,9-11H,6-8,15H2,1-2H3
InChIKeyFJHOOBCJCGWKRG-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.32
Rot. Bonds1

About 1-methyl-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)piperidin-3-amine

1-methyl-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)piperidin-3-amine (PubChem CID 82385444) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-methyl-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)piperidin-3-amine
PubChem CID82385444
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-methyl-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)piperidin-3-amine
SMILESCN1CC(N)CC(c2cn(C)c3ncccc23)C1
InChIInChI=1S/C14H20N4/c1-17-7-10(6-11(15)8-17)13-9-18(2)14-12(13)4-3-5-16-14/h3-5,9-11H,6-8,15H2,1-2H3
InChIKeyFJHOOBCJCGWKRG-UHFFFAOYSA-N
XLogP1.32
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)piperidin-3-amine?
The IUPAC name of 1-methyl-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)piperidin-3-amine (CID 82385444) is 1-methyl-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)piperidin-3-amine.
What is the SMILES notation for 1-methyl-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)piperidin-3-amine?
The canonical SMILES for 1-methyl-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)piperidin-3-amine is CN1CC(N)CC(c2cn(C)c3ncccc23)C1.
What is the InChIKey of 1-methyl-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)piperidin-3-amine?
The InChIKey is FJHOOBCJCGWKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-17-7-10(6-11(15)8-17)13-9-18(2)14-12(13)4-3-5-16-14/h3-5,9-11H,6-8,15H2,1-2H3.
What are the key properties of 1-methyl-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)piperidin-3-amine?
1-methyl-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)piperidin-3-amine has a molecular weight of 244.34 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)piperidin-3-amine is sourced from PubChem (CID 82385444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).