4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one

C17H24FNO — CID 61421543

IUPAC4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
SMILESCCC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FNO/c1-2-14-9-12-19(13-10-14)11-3-4-17(20)15-5-7-16(18)8-6-15/h5-8,14H,2-4,9-13H2,1H3
InChIKeyLTQDDHBYHHINOK-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.91
Rot. Bonds6

About 4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one

4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one (PubChem CID 61421543) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
PubChem CID61421543
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
SMILESCCC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FNO/c1-2-14-9-12-19(13-10-14)11-3-4-17(20)15-5-7-16(18)8-6-15/h5-8,14H,2-4,9-13H2,1H3
InChIKeyLTQDDHBYHHINOK-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one;hydrochloride
CID 29733
1-(4-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-one
CID 64597984
N-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 70605385
3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62613813
4-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)butan-1-one
CID 71749765
3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 62643546
N-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride
CID 70382049
4-[4-(benzenesulfonyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 11058213
[(3S)-1-[4-(4-fluorophenyl)-4-oxobutyl]pyrrolidin-3-yl] N-methylcarbamate
CID 95560244
[(3R)-1-[4-(4-fluorophenyl)-4-oxobutyl]pyrrolidin-3-yl] N-methylcarbamate
CID 95560243
4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 104967925
2-[[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde
CID 174456400

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one?
The IUPAC name of 4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one (CID 61421543) is 4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one is CCC1CCN(CCCC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one?
The InChIKey is LTQDDHBYHHINOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-2-14-9-12-19(13-10-14)11-3-4-17(20)15-5-7-16(18)8-6-15/h5-8,14H,2-4,9-13H2,1H3.
What are the key properties of 4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one?
4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one has a molecular weight of 277.38 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 61421543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).