5-fluoro-2-[1-(6-methylpiperidin-3-yl)ethylidene]-1H-pyridine

C13H19FN2 — CID 123278977

IUPAC5-fluoro-2-[1-(6-methylpiperidin-3-yl)ethylidene]-1H-pyridine
SMILESCC(=C1C=CC(F)=CN1)C1CCC(C)NC1
InChIInChI=1S/C13H19FN2/c1-9-3-4-11(7-15-9)10(2)13-6-5-12(14)8-16-13/h5-6,8-9,11,15-16H,3-4,7H2,1-2H3
InChIKeyAIFMHVRHNPSJII-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.62
Rot. Bonds1

About 5-fluoro-2-[1-(6-methylpiperidin-3-yl)ethylidene]-1H-pyridine

5-fluoro-2-[1-(6-methylpiperidin-3-yl)ethylidene]-1H-pyridine (PubChem CID 123278977) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 5-fluoro-2-[1-(6-methylpiperidin-3-yl)ethylidene]-1H-pyridine.

Molecular Properties

Compound Name5-fluoro-2-[1-(6-methylpiperidin-3-yl)ethylidene]-1H-pyridine
PubChem CID123278977
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name5-fluoro-2-[1-(6-methylpiperidin-3-yl)ethylidene]-1H-pyridine
SMILESCC(=C1C=CC(F)=CN1)C1CCC(C)NC1
InChIInChI=1S/C13H19FN2/c1-9-3-4-11(7-15-9)10(2)13-6-5-12(14)8-16-13/h5-6,8-9,11,15-16H,3-4,7H2,1-2H3
InChIKeyAIFMHVRHNPSJII-UHFFFAOYSA-N
XLogP2.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(5-Fluoro-1,2-dihydropyridin-2-yl)-1-methylpiperidin-3-amine
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5-(Fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine
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2-[2-(Fluoromethyl)piperidin-4-yl]-1,2-dihydropyridine
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(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70327342
10-fluoro-4,6a,7,10,11,11b-hexahydro-3H-benzo[c]carbazole
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(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70903487
5-fluoro-3-[(1-methylpiperidin-4-yl)methyl]-3a,7a-dihydro-1H-indole
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(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine
CID 88997990
N-[(5Z,6E)-3-(4-amino-3-fluorocyclohexa-2,4-dien-1-yl)-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085321
N-[(5Z,6E)-6-(aminomethylidene)-3-[6-(fluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085337

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(6-methylpiperidin-3-yl)ethylidene]-1H-pyridine?
The IUPAC name of 5-fluoro-2-[1-(6-methylpiperidin-3-yl)ethylidene]-1H-pyridine (CID 123278977) is 5-fluoro-2-[1-(6-methylpiperidin-3-yl)ethylidene]-1H-pyridine.
What is the SMILES notation for 5-fluoro-2-[1-(6-methylpiperidin-3-yl)ethylidene]-1H-pyridine?
The canonical SMILES for 5-fluoro-2-[1-(6-methylpiperidin-3-yl)ethylidene]-1H-pyridine is CC(=C1C=CC(F)=CN1)C1CCC(C)NC1.
What is the InChIKey of 5-fluoro-2-[1-(6-methylpiperidin-3-yl)ethylidene]-1H-pyridine?
The InChIKey is AIFMHVRHNPSJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-9-3-4-11(7-15-9)10(2)13-6-5-12(14)8-16-13/h5-6,8-9,11,15-16H,3-4,7H2,1-2H3.
What are the key properties of 5-fluoro-2-[1-(6-methylpiperidin-3-yl)ethylidene]-1H-pyridine?
5-fluoro-2-[1-(6-methylpiperidin-3-yl)ethylidene]-1H-pyridine has a molecular weight of 222.31 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(6-methylpiperidin-3-yl)ethylidene]-1H-pyridine is sourced from PubChem (CID 123278977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).