1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one

C16H22FNO2 — CID 116563754

IUPAC1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
SMILESCOc1cccc(CC(=O)CCC2CCCCN2)c1F
InChIInChI=1S/C16H22FNO2/c1-20-15-7-4-5-12(16(15)17)11-14(19)9-8-13-6-2-3-10-18-13/h4-5,7,13,18H,2-3,6,8-11H2,1H3
InChIKeyHTBLJQMQBGJVBK-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.87
Rot. Bonds6

About 1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one

1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one (PubChem CID 116563754) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
PubChem CID116563754
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
SMILESCOc1cccc(CC(=O)CCC2CCCCN2)c1F
InChIInChI=1S/C16H22FNO2/c1-20-15-7-4-5-12(16(15)17)11-14(19)9-8-13-6-2-3-10-18-13/h4-5,7,13,18H,2-3,6,8-11H2,1H3
InChIKeyHTBLJQMQBGJVBK-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563786
4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800308
1-(2-methylphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563692
1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 115800128
2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 116547496
2-[(2-fluoro-3-methoxyphenyl)methoxymethyl]pyrrolidine
CID 104792599
N-[(2-fluoro-3-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106632656
2-[2-(2,3-dimethoxyphenyl)ethyl]piperidine
CID 43146765
1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563552
1-methoxynaphthalene;4-piperidin-2-ylbutanoic acid
CID 143873908
1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one
CID 116563723
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one (CID 116563754) is 1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one is COc1cccc(CC(=O)CCC2CCCCN2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one?
The InChIKey is HTBLJQMQBGJVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-20-15-7-4-5-12(16(15)17)11-14(19)9-8-13-6-2-3-10-18-13/h4-5,7,13,18H,2-3,6,8-11H2,1H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one?
1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one has a molecular weight of 279.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one is sourced from PubChem (CID 116563754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).