1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one

C14H19FN2O2 — CID 83125914

IUPAC1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCCCC1CO)c1ccc(F)cn1
InChIInChI=1S/C14H19FN2O2/c15-11-4-5-13(16-9-11)14(19)6-8-17-7-2-1-3-12(17)10-18/h4-5,9,12,18H,1-3,6-8,10H2
InChIKeyQANIETICFKDTTM-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.64
Rot. Bonds5

About 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one

1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 83125914) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
PubChem CID83125914
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCCCC1CO)c1ccc(F)cn1
InChIInChI=1S/C14H19FN2O2/c15-11-4-5-13(16-9-11)14(19)6-8-17-7-2-1-3-12(17)10-18/h4-5,9,12,18H,1-3,6-8,10H2
InChIKeyQANIETICFKDTTM-UHFFFAOYSA-N
XLogP1.64
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125772
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83110513
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126546
1-(5-fluoro-2-pyridinyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102886440
3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 104638221
3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propanoic acid
CID 94161350
3-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126842
1-(3,5-dimethylphenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-one
CID 116638047
[2-(2-chloroethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 113436394
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62631068
1-(3-bromophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-one
CID 116638066
cycloheptyl-(5-fluoro-2-pyridinyl)methanone
CID 82931790

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one (CID 83125914) is 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one is O=C(CCN1CCCCC1CO)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is QANIETICFKDTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-11-4-5-13(16-9-11)14(19)6-8-17-7-2-1-3-12(17)10-18/h4-5,9,12,18H,1-3,6-8,10H2.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one?
1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 266.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 83125914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).