About (NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine
(NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine (PubChem CID 124501946) has the molecular formula C12H17N3O
and a molecular weight of 219.29 g/mol. Its IUPAC name is (NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine.
Molecular Properties
| Compound Name | (NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine |
| PubChem CID | 124501946 |
| Molecular Formula | C12H17N3O |
| Molecular Weight | 219.29 g/mol |
| Exact Mass | 219.14 |
| IUPAC Name | (NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine |
| SMILES | Cc1cc(N2CCCCC2)ncc1/C=N\O |
| InChI | InChI=1S/C12H17N3O/c1-10-7-12(13-8-11(10)9-14-16)15-5-3-2-4-6-15/h7-9,16H,2-6H2,1H3/b14-9- |
| InChIKey | HJSTZMGAFRQRRA-ZROIWOOFSA-N |
| XLogP | 2.19 |
| TPSA | 48.72 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 219.29 |
| LogP ≤ 5 | 2.19 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine (CID 124501946) is (NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine is Cc1cc(N2CCCCC2)ncc1/C=N\O.
What is the InChIKey of (NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine?
The InChIKey is HJSTZMGAFRQRRA-ZROIWOOFSA-N. The full InChI is InChI=1S/C12H17N3O/c1-10-7-12(13-8-11(10)9-14-16)15-5-3-2-4-6-15/h7-9,16H,2-6H2,1H3/b14-9-.
What are the key properties of (NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine?
(NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine has a molecular weight of 219.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4-methyl-6-piperidin-1-yl-3-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 124501946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).