About 5-(3-piperidin-1-ylpyrrolidin-1-yl)pyridin-3-amine
5-(3-piperidin-1-ylpyrrolidin-1-yl)pyridin-3-amine (PubChem CID 113424017) has the molecular formula C14H22N4
and a molecular weight of 246.36 g/mol. Its IUPAC name is 5-(3-piperidin-1-ylpyrrolidin-1-yl)pyridin-3-amine.
Molecular Properties
| Compound Name | 5-(3-piperidin-1-ylpyrrolidin-1-yl)pyridin-3-amine |
| PubChem CID | 113424017 |
| Molecular Formula | C14H22N4 |
| Molecular Weight | 246.36 g/mol |
| Exact Mass | 246.18 |
| IUPAC Name | 5-(3-piperidin-1-ylpyrrolidin-1-yl)pyridin-3-amine |
| SMILES | Nc1cncc(N2CCC(N3CCCCC3)C2)c1 |
| InChI | InChI=1S/C14H22N4/c15-12-8-14(10-16-9-12)18-7-4-13(11-18)17-5-2-1-3-6-17/h8-10,13H,1-7,11,15H2 |
| InChIKey | OYLGRNFOLYVQAJ-UHFFFAOYSA-N |
| XLogP | 1.73 |
| TPSA | 45.39 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 246.36 |
| LogP ≤ 5 | 1.73 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 5-(3-piperidin-1-ylpyrrolidin-1-yl)pyridin-3-amine?
The IUPAC name of 5-(3-piperidin-1-ylpyrrolidin-1-yl)pyridin-3-amine (CID 113424017) is 5-(3-piperidin-1-ylpyrrolidin-1-yl)pyridin-3-amine.
What is the SMILES notation for 5-(3-piperidin-1-ylpyrrolidin-1-yl)pyridin-3-amine?
The canonical SMILES for 5-(3-piperidin-1-ylpyrrolidin-1-yl)pyridin-3-amine is Nc1cncc(N2CCC(N3CCCCC3)C2)c1.
What is the InChIKey of 5-(3-piperidin-1-ylpyrrolidin-1-yl)pyridin-3-amine?
The InChIKey is OYLGRNFOLYVQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c15-12-8-14(10-16-9-12)18-7-4-13(11-18)17-5-2-1-3-6-17/h8-10,13H,1-7,11,15H2.
What are the key properties of 5-(3-piperidin-1-ylpyrrolidin-1-yl)pyridin-3-amine?
5-(3-piperidin-1-ylpyrrolidin-1-yl)pyridin-3-amine has a molecular weight of 246.36 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-piperidin-1-ylpyrrolidin-1-yl)pyridin-3-amine is sourced from PubChem (CID 113424017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).