About 4-methyl-N-phenylpiperidin-1-amine
4-methyl-N-phenylpiperidin-1-amine (PubChem CID 10867153) has the molecular formula C12H18N2
and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-methyl-N-phenylpiperidin-1-amine.
Molecular Properties
| Compound Name | 4-methyl-N-phenylpiperidin-1-amine |
| PubChem CID | 10867153 |
| Molecular Formula | C12H18N2 |
| Molecular Weight | 190.29 g/mol |
| Exact Mass | 190.15 |
| IUPAC Name | 4-methyl-N-phenylpiperidin-1-amine |
| SMILES | CC1CCN(Nc2ccccc2)CC1 |
| InChI | InChI=1S/C12H18N2/c1-11-7-9-14(10-8-11)13-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3 |
| InChIKey | SMHITQQSUKLGQS-UHFFFAOYSA-N |
| XLogP | 2.75 |
| TPSA | 15.27 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 | 2.75 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 4-methyl-N-phenylpiperidin-1-amine?
The IUPAC name of 4-methyl-N-phenylpiperidin-1-amine (CID 10867153) is 4-methyl-N-phenylpiperidin-1-amine.
What is the SMILES notation for 4-methyl-N-phenylpiperidin-1-amine?
The canonical SMILES for 4-methyl-N-phenylpiperidin-1-amine is CC1CCN(Nc2ccccc2)CC1.
What is the InChIKey of 4-methyl-N-phenylpiperidin-1-amine?
The InChIKey is SMHITQQSUKLGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-11-7-9-14(10-8-11)13-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3.
What are the key properties of 4-methyl-N-phenylpiperidin-1-amine?
4-methyl-N-phenylpiperidin-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenylpiperidin-1-amine is sourced from PubChem (CID 10867153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).