About N-(5-ethoxypentyl)piperidin-4-amine
N-(5-ethoxypentyl)piperidin-4-amine (PubChem CID 164907072) has the molecular formula C12H26N2O
and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(5-ethoxypentyl)piperidin-4-amine.
Molecular Properties
| Compound Name | N-(5-ethoxypentyl)piperidin-4-amine |
| PubChem CID | 164907072 |
| Molecular Formula | C12H26N2O |
| Molecular Weight | 214.35 g/mol |
| Exact Mass | 214.20 |
| IUPAC Name | N-(5-ethoxypentyl)piperidin-4-amine |
| SMILES | CCOCCCCCNC1CCNCC1 |
| InChI | InChI=1S/C12H26N2O/c1-2-15-11-5-3-4-8-14-12-6-9-13-10-7-12/h12-14H,2-11H2,1H3 |
| InChIKey | QBIKYQLDPBESJW-UHFFFAOYSA-N |
| XLogP | 1.53 |
| TPSA | 33.29 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 214.35 |
| LogP ≤ 5 | 1.53 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(5-ethoxypentyl)piperidin-4-amine?
The IUPAC name of N-(5-ethoxypentyl)piperidin-4-amine (CID 164907072) is N-(5-ethoxypentyl)piperidin-4-amine.
What is the SMILES notation for N-(5-ethoxypentyl)piperidin-4-amine?
The canonical SMILES for N-(5-ethoxypentyl)piperidin-4-amine is CCOCCCCCNC1CCNCC1.
What is the InChIKey of N-(5-ethoxypentyl)piperidin-4-amine?
The InChIKey is QBIKYQLDPBESJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-2-15-11-5-3-4-8-14-12-6-9-13-10-7-12/h12-14H,2-11H2,1H3.
What are the key properties of N-(5-ethoxypentyl)piperidin-4-amine?
N-(5-ethoxypentyl)piperidin-4-amine has a molecular weight of 214.35 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethoxypentyl)piperidin-4-amine is sourced from PubChem (CID 164907072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).