3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)butan-1-one

C16H22FNO — CID 146388976

IUPAC3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)butan-1-one
SMILESCC(CC(=O)C1CCN(C)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO/c1-12(13-3-5-15(17)6-4-13)11-16(19)14-7-9-18(2)10-8-14/h3-6,12,14H,7-11H2,1-2H3
InChIKeyXBHASZCGNJYEGG-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.23
Rot. Bonds4

About 3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)butan-1-one

3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)butan-1-one (PubChem CID 146388976) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)butan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)butan-1-one
PubChem CID146388976
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)butan-1-one
SMILESCC(CC(=O)C1CCN(C)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO/c1-12(13-3-5-15(17)6-4-13)11-16(19)14-7-9-18(2)10-8-14/h3-6,12,14H,7-11H2,1-2H3
InChIKeyXBHASZCGNJYEGG-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-aminophenyl)-1-cyclopentylbutan-1-one
CID 116612653
(3S)-3-(4-fluorophenyl)-1-[4-[(4-methoxyphenyl)sulfonylmethyl]cyclohexyl]butan-1-one
CID 58291969
ethane;2-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 142061545
2-[1-[3-(4-fluorophenyl)butanoyl]piperidin-4-yl]acetic acid
CID 119178715
(3R)-3-(4-fluorophenyl)-1-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]butan-1-one
CID 97347286
(3R)-3-(4-fluorophenyl)-1-[(3S)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]butan-1-one
CID 97347284
(3S)-1-[4-[[4-(2,3-dimethylimidazol-4-yl)phenyl]sulfonylmethyl]cyclohexyl]-3-(4-fluorophenyl)butan-1-one
CID 58291898
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
(3S)-3-(4-fluorophenyl)-1-[4-[[4-(2-fluorophenyl)phenyl]sulfonylmethyl]cyclohexyl]butan-1-one
CID 58291991
(3S)-1-[4-[(2-fluoro-4,5-dimethoxyphenyl)sulfonylmethyl]cyclohexyl]-3-(4-fluorophenyl)butan-1-one
CID 58291805
(3S)-3-(4-fluorophenyl)-1-[(3R)-3-(2-pyrrolidin-1-ylethoxy)pyrrolidin-1-yl]butan-1-one
CID 97019312
(3S)-3-(4-fluorophenyl)-1-[(3S)-3-(2-pyrrolidin-1-ylethoxy)pyrrolidin-1-yl]butan-1-one
CID 97019310

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)butan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)butan-1-one (CID 146388976) is 3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)butan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)butan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)butan-1-one is CC(CC(=O)C1CCN(C)CC1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)butan-1-one?
The InChIKey is XBHASZCGNJYEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-12(13-3-5-15(17)6-4-13)11-16(19)14-7-9-18(2)10-8-14/h3-6,12,14H,7-11H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)butan-1-one?
3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)butan-1-one has a molecular weight of 263.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)butan-1-one is sourced from PubChem (CID 146388976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).