1-[4-(4-tert-butylpiperidin-1-yl)-3-fluorophenyl]ethanone

C17H24FNO — CID 62091090

IUPAC1-[4-(4-tert-butylpiperidin-1-yl)-3-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(C(C)(C)C)CC2)c(F)c1
InChIInChI=1S/C17H24FNO/c1-12(20)13-5-6-16(15(18)11-13)19-9-7-14(8-10-19)17(2,3)4/h5-6,11,14H,7-10H2,1-4H3
InChIKeyBMNKYMPFDAEVDP-UHFFFAOYSA-N
MW277.38 g/mol
LogP4.29
Rot. Bonds2

About 1-[4-(4-tert-butylpiperidin-1-yl)-3-fluorophenyl]ethanone

1-[4-(4-tert-butylpiperidin-1-yl)-3-fluorophenyl]ethanone (PubChem CID 62091090) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 1-[4-(4-tert-butylpiperidin-1-yl)-3-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-tert-butylpiperidin-1-yl)-3-fluorophenyl]ethanone
PubChem CID62091090
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name1-[4-(4-tert-butylpiperidin-1-yl)-3-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(C(C)(C)C)CC2)c(F)c1
InChIInChI=1S/C17H24FNO/c1-12(20)13-5-6-16(15(18)11-13)19-9-7-14(8-10-19)17(2,3)4/h5-6,11,14H,7-10H2,1-4H3
InChIKeyBMNKYMPFDAEVDP-UHFFFAOYSA-N
XLogP4.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone
CID 114237147
1-[3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanone
CID 63170198
1-[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanone
CID 66393471
1-[3-fluoro-4-[4-[(2S)-2-hydroxy-2-phenylpropyl]piperazin-1-yl]phenyl]ethanone
CID 52518090
1-[3-fluoro-4-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenyl]ethanone
CID 120847538
3-fluoro-4-(3-fluoropyrrolidin-1-yl)benzoic acid
CID 123634729
3-fluoro-4-pyrrolidin-1-ylbenzoic acid
CID 28604177
4-(4-ethoxypiperidin-1-yl)-3-fluorobenzoic acid
CID 61220908
1-[4-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 17448030
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-bromo-6-fluorobenzamide
CID 133440629
4-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid
CID 61441707
1-[3-fluoro-4-[4-[2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]phenyl]ethanone
CID 51292338

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylpiperidin-1-yl)-3-fluorophenyl]ethanone?
The IUPAC name of 1-[4-(4-tert-butylpiperidin-1-yl)-3-fluorophenyl]ethanone (CID 62091090) is 1-[4-(4-tert-butylpiperidin-1-yl)-3-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-(4-tert-butylpiperidin-1-yl)-3-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-(4-tert-butylpiperidin-1-yl)-3-fluorophenyl]ethanone is CC(=O)c1ccc(N2CCC(C(C)(C)C)CC2)c(F)c1.
What is the InChIKey of 1-[4-(4-tert-butylpiperidin-1-yl)-3-fluorophenyl]ethanone?
The InChIKey is BMNKYMPFDAEVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-12(20)13-5-6-16(15(18)11-13)19-9-7-14(8-10-19)17(2,3)4/h5-6,11,14H,7-10H2,1-4H3.
What are the key properties of 1-[4-(4-tert-butylpiperidin-1-yl)-3-fluorophenyl]ethanone?
1-[4-(4-tert-butylpiperidin-1-yl)-3-fluorophenyl]ethanone has a molecular weight of 277.38 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylpiperidin-1-yl)-3-fluorophenyl]ethanone is sourced from PubChem (CID 62091090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).