[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone

C₁₃H₂₀N₄O — CID 104968881

About [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone

[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone (PubChem CID 104968881) has the molecular formula C₁₃H₂₀N₄O and a molecular weight of 248.33 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone
• PubChem CID: 104968881
• Molecular Formula: C₁₃H₂₀N₄O
• Molecular Weight: 248.33 g/mol
• Exact Mass: 248.16
• IUPAC Name: [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone
• SMILES: C[C@@H]1CCC[C@H](C)N1C(=O)c1cnccc1NN
• InChI: InChI=1S/C13H20N4O/c1-9-4-3-5-10(2)17(9)13(18)11-8-15-7-6-12(11)16-14/h6-10H,3-5,14H2,1-2H3,(H,15,16)/t9-,10+
• InChIKey: JGHDRYLUKUWKIU-AOOOYVTPSA-N
• XLogP: 1.77
• TPSA: 71.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.33
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone?

The IUPAC name of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone (CID 104968881) is [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone.

What is the SMILES notation for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone?

The canonical SMILES for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone is C[C@@H]1CCC[C@H](C)N1C(=O)c1cnccc1NN.

What is the InChIKey of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone?

The InChIKey is JGHDRYLUKUWKIU-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-4-3-5-10(2)17(9)13(18)11-8-15-7-6-12(11)16-14/h6-10H,3-5,14H2,1-2H3,(H,15,16)/t9-,10+.

What are the key properties of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone?

[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone is sourced from PubChem (CID 104968881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 104968881 — identifiers, structure, computed properties (public domain)

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