About 1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine
1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine (PubChem CID 165401096) has the molecular formula C30H42N6
and a molecular weight of 486.71 g/mol. Its IUPAC name is 1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine.
Molecular Properties
| Compound Name | 1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine |
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| PubChem CID | 165401096 |
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| Molecular Formula | C30H42N6 |
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| Molecular Weight | 486.71 g/mol |
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| Exact Mass | 486.35 |
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| IUPAC Name | 1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine |
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| SMILES | c1cc(/N=C(\N2CCCCC2)N2CCCC2)c2c(/N=C(\N3CCCCC3)N3CCCC3)cccc2c1 |
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| InChI | InChI=1S/C30H42N6/c1-3-17-33(18-4-1)29(35-21-7-8-22-35)31-26-15-11-13-25-14-12-16-27(28(25)26)32-30(36-23-9-10-24-36)34-19-5-2-6-20-34/h11-16H,1-10,17-24H2/b31-29+,32-30+ |
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| InChIKey | PGUZSVQHXIRMRG-JWTBXLROSA-N |
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| XLogP | 5.98 |
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| TPSA | 37.68 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 486.71 |
| LogP ≤ 5 | 5.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine?
The IUPAC name of 1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine (CID 165401096) is 1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for 1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine?
The canonical SMILES for 1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine is c1cc(/N=C(\N2CCCCC2)N2CCCC2)c2c(/N=C(\N3CCCCC3)N3CCCC3)cccc2c1.
What is the InChIKey of 1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine?
The InChIKey is PGUZSVQHXIRMRG-JWTBXLROSA-N. The full InChI is InChI=1S/C30H42N6/c1-3-17-33(18-4-1)29(35-21-7-8-22-35)31-26-15-11-13-25-14-12-16-27(28(25)26)32-30(36-23-9-10-24-36)34-19-5-2-6-20-34/h11-16H,1-10,17-24H2/b31-29+,32-30+.
What are the key properties of 1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine?
1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine has a molecular weight of 486.71 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-N-[8-[[piperidin-1-yl(pyrrolidin-1-yl)methylidene]amino]naphthalen-1-yl]-1-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 165401096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).