(3-fluoro-2-hydrazinyl-4-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone

C12H17FN4O2 — CID 105387751

IUPAC(3-fluoro-2-hydrazinyl-4-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNNc1nccc(C(=O)N2CCC(CO)CC2)c1F
InChIInChI=1S/C12H17FN4O2/c13-10-9(1-4-15-11(10)16-14)12(19)17-5-2-8(7-18)3-6-17/h1,4,8,18H,2-3,5-7,14H2,(H,15,16)
InChIKeyJNENPXDHGYMKLT-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.35
Rot. Bonds3

About (3-fluoro-2-hydrazinyl-4-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone

(3-fluoro-2-hydrazinyl-4-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 105387751) has the molecular formula C12H17FN4O2 and a molecular weight of 268.29 g/mol. Its IUPAC name is (3-fluoro-2-hydrazinyl-4-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-2-hydrazinyl-4-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID105387751
Molecular FormulaC12H17FN4O2
Molecular Weight268.29 g/mol
Exact Mass268.13
IUPAC Name(3-fluoro-2-hydrazinyl-4-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNNc1nccc(C(=O)N2CCC(CO)CC2)c1F
InChIInChI=1S/C12H17FN4O2/c13-10-9(1-4-15-11(10)16-14)12(19)17-5-2-8(7-18)3-6-17/h1,4,8,18H,2-3,5-7,14H2,(H,15,16)
InChIKeyJNENPXDHGYMKLT-UHFFFAOYSA-N
XLogP0.35
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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
[3-fluoro-2-(methylamino)-4-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 105387211
(4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388301
(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
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
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388482
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
CID 105388188
[3-fluoro-2-(methylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 105384813
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837597
[4-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 62185539
(4-hydrazinyl-2-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62234119

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-hydrazinyl-4-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-2-hydrazinyl-4-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 105387751) is (3-fluoro-2-hydrazinyl-4-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-2-hydrazinyl-4-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-2-hydrazinyl-4-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is NNc1nccc(C(=O)N2CCC(CO)CC2)c1F.
What is the InChIKey of (3-fluoro-2-hydrazinyl-4-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is JNENPXDHGYMKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O2/c13-10-9(1-4-15-11(10)16-14)12(19)17-5-2-8(7-18)3-6-17/h1,4,8,18H,2-3,5-7,14H2,(H,15,16).
What are the key properties of (3-fluoro-2-hydrazinyl-4-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
(3-fluoro-2-hydrazinyl-4-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 268.29 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-hydrazinyl-4-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 105387751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).