1-(5-fluoro-2-pyridinyl)-2-piperidin-2-ylpropan-1-one

C13H17FN2O — CID 112583451

IUPAC1-(5-fluoro-2-pyridinyl)-2-piperidin-2-ylpropan-1-one
SMILESCC(C(=O)c1ccc(F)cn1)C1CCCCN1
InChIInChI=1S/C13H17FN2O/c1-9(11-4-2-3-7-15-11)13(17)12-6-5-10(14)8-16-12/h5-6,8-9,11,15H,2-4,7H2,1H3
InChIKeyKEJYBPPTKMBXEK-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.18
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-2-piperidin-2-ylpropan-1-one

1-(5-fluoro-2-pyridinyl)-2-piperidin-2-ylpropan-1-one (PubChem CID 112583451) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-2-piperidin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-2-piperidin-2-ylpropan-1-one
PubChem CID112583451
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-(5-fluoro-2-pyridinyl)-2-piperidin-2-ylpropan-1-one
SMILESCC(C(=O)c1ccc(F)cn1)C1CCCCN1
InChIInChI=1S/C13H17FN2O/c1-9(11-4-2-3-7-15-11)13(17)12-6-5-10(14)8-16-12/h5-6,8-9,11,15H,2-4,7H2,1H3
InChIKeyKEJYBPPTKMBXEK-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)propan-1-ol
CID 112586842
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 58180918
2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 83120123
cycloheptyl-(5-fluoro-2-pyridinyl)methanone
CID 82931790
(2S)-2-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetic acid
CID 10657508
1-(5-fluoro-2-pyridinyl)-2,4,4-trimethylpentane-1,3-dione
CID 112583432
N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide
CID 119839119
3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586223
(5-fluoro-2-pyridinyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 104639225
[4-(1-bromoethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 106839149
2-(azocan-2-yl)-1-cyclopropylpropan-1-one
CID 130491233
(2S)-N-methyl-2-[(2S)-piperidin-2-yl]propanamide
CID 99980828

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-piperidin-2-ylpropan-1-one?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-piperidin-2-ylpropan-1-one (CID 112583451) is 1-(5-fluoro-2-pyridinyl)-2-piperidin-2-ylpropan-1-one.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-2-piperidin-2-ylpropan-1-one?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-2-piperidin-2-ylpropan-1-one is CC(C(=O)c1ccc(F)cn1)C1CCCCN1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-2-piperidin-2-ylpropan-1-one?
The InChIKey is KEJYBPPTKMBXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9(11-4-2-3-7-15-11)13(17)12-6-5-10(14)8-16-12/h5-6,8-9,11,15H,2-4,7H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-2-piperidin-2-ylpropan-1-one?
1-(5-fluoro-2-pyridinyl)-2-piperidin-2-ylpropan-1-one 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-piperidin-2-ylpropan-1-one is sourced from PubChem (CID 112583451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).