About 3-(3-phenylprop-2-enyl)piperidine
3-(3-phenylprop-2-enyl)piperidine (PubChem CID 141263506) has the molecular formula C14H19N
and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(3-phenylprop-2-enyl)piperidine.
Molecular Properties
| Compound Name | 3-(3-phenylprop-2-enyl)piperidine |
| PubChem CID | 141263506 |
| Molecular Formula | C14H19N |
| Molecular Weight | 201.31 g/mol |
| Exact Mass | 201.15 |
| IUPAC Name | 3-(3-phenylprop-2-enyl)piperidine |
| SMILES | C(=Cc1ccccc1)CC1CCCNC1 |
| InChI | InChI=1S/C14H19N/c1-2-6-13(7-3-1)8-4-9-14-10-5-11-15-12-14/h1-4,6-8,14-15H,5,9-12H2 |
| InChIKey | BRWDMBZBFAPMHZ-UHFFFAOYSA-N |
| XLogP | 3.09 |
| TPSA | 12.03 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 201.31 |
| LogP ≤ 5 | 3.09 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 3-(3-phenylprop-2-enyl)piperidine?
The IUPAC name of 3-(3-phenylprop-2-enyl)piperidine (CID 141263506) is 3-(3-phenylprop-2-enyl)piperidine.
What is the SMILES notation for 3-(3-phenylprop-2-enyl)piperidine?
The canonical SMILES for 3-(3-phenylprop-2-enyl)piperidine is C(=Cc1ccccc1)CC1CCCNC1.
What is the InChIKey of 3-(3-phenylprop-2-enyl)piperidine?
The InChIKey is BRWDMBZBFAPMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-6-13(7-3-1)8-4-9-14-10-5-11-15-12-14/h1-4,6-8,14-15H,5,9-12H2.
What are the key properties of 3-(3-phenylprop-2-enyl)piperidine?
3-(3-phenylprop-2-enyl)piperidine has a molecular weight of 201.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylprop-2-enyl)piperidine is sourced from PubChem (CID 141263506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).