1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one

C16H22FNO2 — CID 110396913

IUPAC1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO2/c1-12(2)11-16(19)18-9-7-15(8-10-18)20-14-5-3-13(17)4-6-14/h3-6,12,15H,7-11H2,1-2H3
InChIKeyYWDACVMRERABRK-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.24
Rot. Bonds4

About 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one

1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one (PubChem CID 110396913) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one
PubChem CID110396913
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO2/c1-12(2)11-16(19)18-9-7-15(8-10-18)20-14-5-3-13(17)4-6-14/h3-6,12,15H,7-11H2,1-2H3
InChIKeyYWDACVMRERABRK-UHFFFAOYSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one
CID 119950821
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
CID 110396939
(2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 67530037
(3S)-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-methylsulfanylbutan-1-one
CID 124569340
1-[3-[4-(3-azabicyclo[3.2.2]nonane-3-carbonyl)phenoxy]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 58032837
2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone
CID 134230783
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 118765848
2-chloro-1-[(3S)-3-(4-fluorophenoxy)pyrrolidin-1-yl]ethanone
CID 166407433
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110396938
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110365702
tert-butyl N-[(2S)-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
CID 90715922

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one (CID 110396913) is 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one?
The InChIKey is YWDACVMRERABRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-12(2)11-16(19)18-9-7-15(8-10-18)20-14-5-3-13(17)4-6-14/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one?
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 279.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 110396913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).