1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]hexan-1-one

C18H22F3NO2 — CID 56790869

IUPAC1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1
InChIInChI=1S/C18H22F3NO2/c1-2-3-4-5-16(23)22-8-6-12(7-9-22)18(24)17-14(20)10-13(19)11-15(17)21/h10-12H,2-9H2,1H3
InChIKeyLYAIKWMZJWZVCC-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.11
Rot. Bonds6

About 1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]hexan-1-one

1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]hexan-1-one (PubChem CID 56790869) has the molecular formula C18H22F3NO2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]hexan-1-one
PubChem CID56790869
Molecular FormulaC18H22F3NO2
Molecular Weight341.37 g/mol
Exact Mass341.16
IUPAC Name1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1
InChIInChI=1S/C18H22F3NO2/c1-2-3-4-5-16(23)22-8-6-12(7-9-22)18(24)17-14(20)10-13(19)11-15(17)21/h10-12H,2-9H2,1H3
InChIKeyLYAIKWMZJWZVCC-UHFFFAOYSA-N
XLogP4.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-piperidin-4-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]butan-1-one
CID 119787917
2-pyrrolidin-2-yl-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone;hydrochloride
CID 119787926
1-(2,4,6-trifluorophenyl)hexan-1-one
CID 43160560
[1-(pyrrolidine-3-carbonyl)piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 119787931
[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 86953089
methyl 1-heptanoylpiperidine-4-carboxylate
CID 43423316
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one
CID 78848555
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088
1-(4-aminopiperidin-1-yl)nonan-1-one
CID 65449656
1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818219

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]hexan-1-one?
The IUPAC name of 1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]hexan-1-one (CID 56790869) is 1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]hexan-1-one.
What is the SMILES notation for 1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]hexan-1-one?
The canonical SMILES for 1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]hexan-1-one is CCCCCC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1.
What is the InChIKey of 1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]hexan-1-one?
The InChIKey is LYAIKWMZJWZVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NO2/c1-2-3-4-5-16(23)22-8-6-12(7-9-22)18(24)17-14(20)10-13(19)11-15(17)21/h10-12H,2-9H2,1H3.
What are the key properties of 1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]hexan-1-one?
1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]hexan-1-one has a molecular weight of 341.37 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 56790869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).