DB-005420
CNP0203117.1 · C15H17N3 · View on COCONUT ↗
Identifiers
| Name | DB-005420 |
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| IUPAC Name | 3-[(2~{R},4~{S})-2-(3-pyridyl)-4-piperidyl]pyridine |
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| COCONUT ID | CNP0203117.1 |
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| InChIKey | COWQBMIVVHLMNO-SWLSCSKDSA-N |
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| InChI | InChI=1S/C15H17N3/c1-3-13(10-16-6-1)12-5-8-18-15(9-12)14-4-2-7-17-11-14/h1-4,6-7,10-12,15,18H,5,8-9H2/t12-,15+/m0/s1 |
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| SMILES | C1=CN=CC([C@H]2CCN[C@@H](C3=CC=CN=C3)C2)=C1 |
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Properties
| Molecular Formula | C15H17N3 |
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| Molecular Weight | 239.32 |
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| Exact Mass | 239.14225 |
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| Log P (ALogP) | 2.68 |
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| TPSA | 37.81 |
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| H-Bond Donors / Acceptors | 1 / 3 |
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| Rotatable Bonds | 2 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.88 |
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| NP-likeness | 0.19 |
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Classification
| NP Pathway | Alkaloids |
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| NP Superclass | Nicotinic acid alkaloids |
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| NP Class | Pyridine alkaloids |
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| Chemical Superclass | Alkaloids and derivatives |
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| Chemical Class | |
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| Chemical Subclass | Alkaloids and derivatives |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
