3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one

C18H26FNO — CID 115996598

IUPAC3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
SMILESCCC1(C)CCN(CC(C)C(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H26FNO/c1-4-18(3)9-11-20(12-10-18)13-14(2)17(21)15-7-5-6-8-16(15)19/h5-8,14H,4,9-13H2,1-3H3
InChIKeySCFRFLVKQCGDFS-UHFFFAOYSA-N
MW291.41 g/mol
LogP4.16
Rot. Bonds5

About 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one

3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one (PubChem CID 115996598) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
PubChem CID115996598
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Name3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
SMILESCCC1(C)CCN(CC(C)C(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H26FNO/c1-4-18(3)9-11-20(12-10-18)13-14(2)17(21)15-7-5-6-8-16(15)19/h5-8,14H,4,9-13H2,1-3H3
InChIKeySCFRFLVKQCGDFS-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 10037066
1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one
CID 13422049
3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 112679767
1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one
CID 115996606
3-(3,5-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996491
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 104960593
1-(2-fluorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 115996621
3-(diethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 112679711
[2-(ethylamino)-3-fluorophenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63162009
(2S)-2-methyl-3-[4-[(2R)-2-methyl-3-oxo-3-phenylpropyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 92774232
4-(2-fluorophenyl)-3-methyl-4-oxobutanenitrile
CID 60914023
3-(5-ethyl-2-methylmorpholin-4-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996574

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one?
The IUPAC name of 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one (CID 115996598) is 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one is CCC1(C)CCN(CC(C)C(=O)c2ccccc2F)CC1.
What is the InChIKey of 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one?
The InChIKey is SCFRFLVKQCGDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c1-4-18(3)9-11-20(12-10-18)13-14(2)17(21)15-7-5-6-8-16(15)19/h5-8,14H,4,9-13H2,1-3H3.
What are the key properties of 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one?
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one has a molecular weight of 291.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 115996598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).