4-(2-fluorophenyl)-4-(2-methylpiperidin-1-yl)butan-2-one

C16H22FNO — CID 82133502

IUPAC4-(2-fluorophenyl)-4-(2-methylpiperidin-1-yl)butan-2-one
SMILESCC(=O)CC(c1ccccc1F)N1CCCCC1C
InChIInChI=1S/C16H22FNO/c1-12-7-5-6-10-18(12)16(11-13(2)19)14-8-3-4-9-15(14)17/h3-4,8-9,12,16H,5-7,10-11H2,1-2H3
InChIKeyVWLYSPJWIKZKDL-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.72
Rot. Bonds4

About 4-(2-fluorophenyl)-4-(2-methylpiperidin-1-yl)butan-2-one

4-(2-fluorophenyl)-4-(2-methylpiperidin-1-yl)butan-2-one (PubChem CID 82133502) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-4-(2-methylpiperidin-1-yl)butan-2-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-4-(2-methylpiperidin-1-yl)butan-2-one
PubChem CID82133502
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name4-(2-fluorophenyl)-4-(2-methylpiperidin-1-yl)butan-2-one
SMILESCC(=O)CC(c1ccccc1F)N1CCCCC1C
InChIInChI=1S/C16H22FNO/c1-12-7-5-6-10-18(12)16(11-13(2)19)14-8-3-4-9-15(14)17/h3-4,8-9,12,16H,5-7,10-11H2,1-2H3
InChIKeyVWLYSPJWIKZKDL-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylphenyl)-3-(2-methylpiperidin-1-yl)propanoic acid
CID 82133125
2-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 63667059
1-[1-(2-fluorophenyl)propyl]azepane-2-carboxylic acid
CID 115997267
2-(2,6-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 16786148
(1R)-1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanol
CID 95153941
2-(2,3-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 55233922
2-(2-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 127119816
[1-[1-(2-fluorophenyl)propyl]piperidin-2-yl]methanamine
CID 112679200
1-(2-fluorophenyl)-1-(2-methylpyrrolidin-1-yl)butan-2-amine
CID 55019169
5-[(2-fluorophenyl)-(2-methylpiperidin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 16815631
2-(2-fluoro-5-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 114053992
ethyl 3-(2-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
CID 64539874

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-4-(2-methylpiperidin-1-yl)butan-2-one?
The IUPAC name of 4-(2-fluorophenyl)-4-(2-methylpiperidin-1-yl)butan-2-one (CID 82133502) is 4-(2-fluorophenyl)-4-(2-methylpiperidin-1-yl)butan-2-one.
What is the SMILES notation for 4-(2-fluorophenyl)-4-(2-methylpiperidin-1-yl)butan-2-one?
The canonical SMILES for 4-(2-fluorophenyl)-4-(2-methylpiperidin-1-yl)butan-2-one is CC(=O)CC(c1ccccc1F)N1CCCCC1C.
What is the InChIKey of 4-(2-fluorophenyl)-4-(2-methylpiperidin-1-yl)butan-2-one?
The InChIKey is VWLYSPJWIKZKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-12-7-5-6-10-18(12)16(11-13(2)19)14-8-3-4-9-15(14)17/h3-4,8-9,12,16H,5-7,10-11H2,1-2H3.
What are the key properties of 4-(2-fluorophenyl)-4-(2-methylpiperidin-1-yl)butan-2-one?
4-(2-fluorophenyl)-4-(2-methylpiperidin-1-yl)butan-2-one has a molecular weight of 263.36 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-4-(2-methylpiperidin-1-yl)butan-2-one is sourced from PubChem (CID 82133502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).