[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-pyridinyl)methanone

C13H20N4O — CID 104968896

IUPAC[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-pyridinyl)methanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(NN)cn1
InChIInChI=1S/C13H20N4O/c1-9-4-3-5-10(2)17(9)13(18)12-7-6-11(16-14)8-15-12/h6-10,16H,3-5,14H2,1-2H3/t9-,10+
InChIKeyLACSJOGZSAOXER-AOOOYVTPSA-N
MW248.33 g/mol
LogP1.77
Rot. Bonds2

About [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-pyridinyl)methanone

[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-pyridinyl)methanone (PubChem CID 104968896) 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]-(5-hydrazinyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-pyridinyl)methanone
PubChem CID104968896
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-pyridinyl)methanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(NN)cn1
InChIInChI=1S/C13H20N4O/c1-9-4-3-5-10(2)17(9)13(18)12-7-6-11(16-14)8-15-12/h6-10,16H,3-5,14H2,1-2H3/t9-,10+
InChIKeyLACSJOGZSAOXER-AOOOYVTPSA-N
XLogP1.77
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-pyridinyl)methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-pyridinyl)methanone (CID 104968896) is [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-pyridinyl)methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-pyridinyl)methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-pyridinyl)methanone is C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(NN)cn1.
What is the InChIKey of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-pyridinyl)methanone?
The InChIKey is LACSJOGZSAOXER-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-4-3-5-10(2)17(9)13(18)12-7-6-11(16-14)8-15-12/h6-10,16H,3-5,14H2,1-2H3/t9-,10+.
What are the key properties of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-pyridinyl)methanone?
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-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]-(5-hydrazinyl-2-pyridinyl)methanone is sourced from PubChem (CID 104968896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).