About (2-piperidin-1-ylphenyl)methanamine
(2-piperidin-1-ylphenyl)methanamine (PubChem CID 2776509) has the molecular formula C12H18N2
and a molecular weight of 190.29 g/mol. Its IUPAC name is (2-piperidin-1-ylphenyl)methanamine.
Molecular Properties
| Compound Name | (2-piperidin-1-ylphenyl)methanamine |
| PubChem CID | 2776509 |
| Molecular Formula | C12H18N2 |
| Molecular Weight | 190.29 g/mol |
| Exact Mass | 190.15 |
| IUPAC Name | (2-piperidin-1-ylphenyl)methanamine |
| SMILES | NCc1ccccc1N1CCCCC1 |
| InChI | InChI=1S/C12H18N2/c13-10-11-6-2-3-7-12(11)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10,13H2 |
| InChIKey | VNNYEXSABSADDW-UHFFFAOYSA-N |
| XLogP | 2.14 |
| TPSA | 29.26 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 190.29 |
| LogP ≤ 5 | 2.14 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of (2-piperidin-1-ylphenyl)methanamine?
The IUPAC name of (2-piperidin-1-ylphenyl)methanamine (CID 2776509) is (2-piperidin-1-ylphenyl)methanamine.
What is the SMILES notation for (2-piperidin-1-ylphenyl)methanamine?
The canonical SMILES for (2-piperidin-1-ylphenyl)methanamine is NCc1ccccc1N1CCCCC1.
What is the InChIKey of (2-piperidin-1-ylphenyl)methanamine?
The InChIKey is VNNYEXSABSADDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-10-11-6-2-3-7-12(11)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10,13H2.
What are the key properties of (2-piperidin-1-ylphenyl)methanamine?
(2-piperidin-1-ylphenyl)methanamine has a molecular weight of 190.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperidin-1-ylphenyl)methanamine is sourced from PubChem (CID 2776509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).