1-(5-fluoro-2-pyridinyl)-2-(4-methylpiperidin-2-yl)ethanone

C13H17FN2O — CID 116685419

IUPAC1-(5-fluoro-2-pyridinyl)-2-(4-methylpiperidin-2-yl)ethanone
SMILESCC1CCNC(CC(=O)c2ccc(F)cn2)C1
InChIInChI=1S/C13H17FN2O/c1-9-4-5-15-11(6-9)7-13(17)12-3-2-10(14)8-16-12/h2-3,8-9,11,15H,4-7H2,1H3
InChIKeyWWXAWUUDTRCIQQ-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.18
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-2-(4-methylpiperidin-2-yl)ethanone

1-(5-fluoro-2-pyridinyl)-2-(4-methylpiperidin-2-yl)ethanone (PubChem CID 116685419) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-2-(4-methylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-2-(4-methylpiperidin-2-yl)ethanone
PubChem CID116685419
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-(5-fluoro-2-pyridinyl)-2-(4-methylpiperidin-2-yl)ethanone
SMILESCC1CCNC(CC(=O)c2ccc(F)cn2)C1
InChIInChI=1S/C13H17FN2O/c1-9-4-5-15-11(6-9)7-13(17)12-3-2-10(14)8-16-12/h2-3,8-9,11,15H,4-7H2,1H3
InChIKeyWWXAWUUDTRCIQQ-UHFFFAOYSA-N
XLogP2.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 83120123
2-(4-methylpiperidin-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 116685051
(5-fluoro-2-pyridinyl)-(3-methylcyclohexyl)methanone
CID 79723805
2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone
CID 116685103
1-(4-bromothiophen-2-yl)-2-(4-methylpiperidin-2-yl)ethanone
CID 107354754
1-(5-fluoro-2-pyridinyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-1-one
CID 83126479
3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one
CID 116685291
3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126542
1-(5-fluoro-2-pyridinyl)-2-piperidin-2-ylpropan-1-one
CID 112583451
[(2R,4S)-4-methylpiperidin-2-yl]methanol
CID 68711333
[(2R,4R)-4-methylpiperidin-2-yl]methanol
CID 68714845
2-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 114931398

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-(4-methylpiperidin-2-yl)ethanone?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-(4-methylpiperidin-2-yl)ethanone (CID 116685419) is 1-(5-fluoro-2-pyridinyl)-2-(4-methylpiperidin-2-yl)ethanone.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-2-(4-methylpiperidin-2-yl)ethanone?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-2-(4-methylpiperidin-2-yl)ethanone is CC1CCNC(CC(=O)c2ccc(F)cn2)C1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-2-(4-methylpiperidin-2-yl)ethanone?
The InChIKey is WWXAWUUDTRCIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-4-5-15-11(6-9)7-13(17)12-3-2-10(14)8-16-12/h2-3,8-9,11,15H,4-7H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-2-(4-methylpiperidin-2-yl)ethanone?
1-(5-fluoro-2-pyridinyl)-2-(4-methylpiperidin-2-yl)ethanone has a molecular weight of 236.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-2-(4-methylpiperidin-2-yl)ethanone is sourced from PubChem (CID 116685419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).