4-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one

C17H24FNO — CID 62330528

IUPAC4-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
SMILESCC1CCN(CCCC(=O)c2ccc(F)cc2)C(C)C1
InChIInChI=1S/C17H24FNO/c1-13-9-11-19(14(2)12-13)10-3-4-17(20)15-5-7-16(18)8-6-15/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeyBTPYOTDLXNENGH-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.91
Rot. Bonds5

About 4-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one

4-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one (PubChem CID 62330528) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 4-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
PubChem CID62330528
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name4-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
SMILESCC1CCN(CCCC(=O)c2ccc(F)cc2)C(C)C1
InChIInChI=1S/C17H24FNO/c1-13-9-11-19(14(2)12-13)10-3-4-17(20)15-5-7-16(18)8-6-15/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeyBTPYOTDLXNENGH-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 104967925
1-(4-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanone
CID 62332508
4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 61421543
1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one;hydrochloride
CID 29733
1-(4-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one
CID 43793076
(2S,5R)-N-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]-2,5-dimethylpiperazine-1-carboxamide
CID 70381488
1-(4-fluorophenyl)-4-(6-methoxy-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-3-yl)butan-1-one
CID 67780162
1-(4-fluorophenyl)-4-(3-methylcyclohexyl)oxybutan-1-one
CID 43793788
4-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]benzoic acid
CID 62332504
1-(4-fluorophenyl)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-one
CID 63273502
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

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one?
The IUPAC name of 4-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one (CID 62330528) is 4-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 4-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 4-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one is CC1CCN(CCCC(=O)c2ccc(F)cc2)C(C)C1.
What is the InChIKey of 4-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one?
The InChIKey is BTPYOTDLXNENGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-13-9-11-19(14(2)12-13)10-3-4-17(20)15-5-7-16(18)8-6-15/h5-8,13-14H,3-4,9-12H2,1-2H3.
What are the key properties of 4-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one?
4-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one has a molecular weight of 277.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 62330528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).