About 1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine
1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine (PubChem CID 43215927) has the molecular formula C19H24N2
and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine.
Molecular Properties
| Compound Name | 1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine |
| PubChem CID | 43215927 |
| Molecular Formula | C19H24N2 |
| Molecular Weight | 280.42 g/mol |
| Exact Mass | 280.19 |
| IUPAC Name | 1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine |
| SMILES | CN1CCC(NCc2ccc(-c3ccccc3)cc2)CC1 |
| InChI | InChI=1S/C19H24N2/c1-21-13-11-19(12-14-21)20-15-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,19-20H,11-15H2,1H3 |
| InChIKey | LIPLUWDKVAHJMW-UHFFFAOYSA-N |
| XLogP | 3.54 |
| TPSA | 15.27 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 280.42 |
| LogP ≤ 5 | 3.54 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine (CID 43215927) is 1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine is CN1CCC(NCc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine?
The InChIKey is LIPLUWDKVAHJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-21-13-11-19(12-14-21)20-15-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,19-20H,11-15H2,1H3.
What are the key properties of 1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine?
1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine has a molecular weight of 280.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 43215927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).