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

C16H22FNO — CID 82122225

IUPAC1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
SMILESCc1cc(C(=O)C(C)CN2CCCCC2)ccc1F
InChIInChI=1S/C16H22FNO/c1-12-10-14(6-7-15(12)17)16(19)13(2)11-18-8-4-3-5-9-18/h6-7,10,13H,3-5,8-9,11H2,1-2H3
InChIKeyTWFNKZHPMQMKCR-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.44
Rot. Bonds4

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

1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one (PubChem CID 82122225) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
PubChem CID82122225
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
SMILESCc1cc(C(=O)C(C)CN2CCCCC2)ccc1F
InChIInChI=1S/C16H22FNO/c1-12-10-14(6-7-15(12)17)16(19)13(2)11-18-8-4-3-5-9-18/h6-7,10,13H,3-5,8-9,11H2,1-2H3
InChIKeyTWFNKZHPMQMKCR-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 63213435
1-(6-chloronaphthalen-2-yl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 12952373
N-ethyl-4-fluoro-3-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773094
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide
CID 77352384
N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide
CID 67773483
1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050231
(Z)-but-2-enedioic acid;(2S)-2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one
CID 56960042
1-(3-chloro-4-methoxyphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 12952367
(2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 76963739
1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 10037066
N-[(4-fluoro-3-methylphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 62121470

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one (CID 82122225) is 1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one is Cc1cc(C(=O)C(C)CN2CCCCC2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one?
The InChIKey is TWFNKZHPMQMKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-12-10-14(6-7-15(12)17)16(19)13(2)11-18-8-4-3-5-9-18/h6-7,10,13H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one?
1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one has a molecular weight of 263.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 82122225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).