1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-3-ylpropan-1-one

C14H19FN2O — CID 116611168

IUPAC1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-3-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccncc1F)C1CCCNC1
InChIInChI=1S/C14H19FN2O/c1-14(2,10-4-3-6-16-8-10)13(18)11-5-7-17-9-12(11)15/h5,7,9-10,16H,3-4,6,8H2,1-2H3
InChIKeyNZSVBQNIPOVFGQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.43
Rot. Bonds3

About 1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-3-ylpropan-1-one

1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-3-ylpropan-1-one (PubChem CID 116611168) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-3-ylpropan-1-one
PubChem CID116611168
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-3-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccncc1F)C1CCCNC1
InChIInChI=1S/C14H19FN2O/c1-14(2,10-4-3-6-16-8-10)13(18)11-5-7-17-9-12(11)15/h5,7,9-10,16H,3-4,6,8H2,1-2H3
InChIKeyNZSVBQNIPOVFGQ-UHFFFAOYSA-N
XLogP2.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 107515011
1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599190
1-(4-methoxy-2-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 116611214
1-(2-bromo-3-fluorophenyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611257
1-piperidin-3-yl-1-pyridin-3-ylethanol
CID 63585901
2-methyl-1-(3-methylphenyl)-2-piperidin-3-ylpropan-1-one
CID 116611171
1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 114737366
N-(2-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031990
N-(4-bromo-3-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83032094
N-(2,5-difluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83198550
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83200383
1-(3,4-difluorophenyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611258

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-3-ylpropan-1-one (CID 116611168) is 1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-3-ylpropan-1-one is CC(C)(C(=O)c1ccncc1F)C1CCCNC1.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-3-ylpropan-1-one?
The InChIKey is NZSVBQNIPOVFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-14(2,10-4-3-6-16-8-10)13(18)11-5-7-17-9-12(11)15/h5,7,9-10,16H,3-4,6,8H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-3-ylpropan-1-one?
1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-3-ylpropan-1-one has a molecular weight of 250.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 116611168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).