(4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone

C13H19FN4O — CID 105388301

IUPAC(4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
SMILESCC1(C)CCN(C(=O)c2ccnc(NN)c2F)CC1
InChIInChI=1S/C13H19FN4O/c1-13(2)4-7-18(8-5-13)12(19)9-3-6-16-11(17-15)10(9)14/h3,6H,4-5,7-8,15H2,1-2H3,(H,16,17)
InChIKeyZRVXALOMSFMPGI-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.77
Rot. Bonds2

About (4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone

(4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone (PubChem CID 105388301) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is (4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
PubChem CID105388301
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name(4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
SMILESCC1(C)CCN(C(=O)c2ccnc(NN)c2F)CC1
InChIInChI=1S/C13H19FN4O/c1-13(2)4-7-18(8-5-13)12(19)9-3-6-16-11(17-15)10(9)14/h3,6H,4-5,7-8,15H2,1-2H3,(H,16,17)
InChIKeyZRVXALOMSFMPGI-UHFFFAOYSA-N
XLogP1.77
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
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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Related Compounds

(3-fluoro-2-hydrazinyl-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 105388111
(4,4-dimethylazepan-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105386660
(3-fluoro-2-hydrazinyl-4-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 105387751
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(4-propylpiperazin-1-yl)methanone
CID 105387852
1,3-dihydroisoindol-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388109
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388482
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388318
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
CID 105388188
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388424
3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388119
4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)-3-methylpiperazin-2-one
CID 105388346
(1,1-dioxo-1,4-thiazinan-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105384993

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone?
The IUPAC name of (4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone (CID 105388301) is (4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone.
What is the SMILES notation for (4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone?
The canonical SMILES for (4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone is CC1(C)CCN(C(=O)c2ccnc(NN)c2F)CC1.
What is the InChIKey of (4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone?
The InChIKey is ZRVXALOMSFMPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c1-13(2)4-7-18(8-5-13)12(19)9-3-6-16-11(17-15)10(9)14/h3,6H,4-5,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of (4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone?
(4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone has a molecular weight of 266.32 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 (4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone is sourced from PubChem (CID 105388301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).