1-(4-fluorophenyl)-2-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]ethanone

C22H23F4NO — CID 10023485

IUPAC1-(4-fluorophenyl)-2-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]ethanone
SMILESO=C(CC1CCN(CCc2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H23F4NO/c23-20-7-3-18(4-8-20)21(28)15-17-10-13-27(14-11-17)12-9-16-1-5-19(6-2-16)22(24,25)26/h1-8,17H,9-15H2
InChIKeyJXDNMESNLICMIF-UHFFFAOYSA-N
MW393.42 g/mol
LogP5.37
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]ethanone

1-(4-fluorophenyl)-2-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]ethanone (PubChem CID 10023485) has the molecular formula C22H23F4NO and a molecular weight of 393.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]ethanone
PubChem CID10023485
Molecular FormulaC22H23F4NO
Molecular Weight393.42 g/mol
Exact Mass393.17
IUPAC Name1-(4-fluorophenyl)-2-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]ethanone
SMILESO=C(CC1CCN(CCc2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H23F4NO/c23-20-7-3-18(4-8-20)21(28)15-17-10-13-27(14-11-17)12-9-16-1-5-19(6-2-16)22(24,25)26/h1-8,17H,9-15H2
InChIKeyJXDNMESNLICMIF-UHFFFAOYSA-N
XLogP5.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.42
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone
CID 10360079
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
tert-butyl N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]carbamate
CID 171479743
2-[1-[3-(3,4-dichlorophenoxy)propyl]piperidin-4-yl]-1-(4-fluorophenyl)ethanone
CID 142055463
4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoic acid
CID 151091518
4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 61421543
N-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide
CID 22888129
1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 14677538
1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 84589032
1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
CID 91066531
1-[4-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-3-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propan-1-one;dihydrochloride
CID 18620913
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-methylindazole-3-carboxamide;hydrochloride
CID 24802626

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]ethanone (CID 10023485) is 1-(4-fluorophenyl)-2-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]ethanone is O=C(CC1CCN(CCc2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]ethanone?
The InChIKey is JXDNMESNLICMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4NO/c23-20-7-3-18(4-8-20)21(28)15-17-10-13-27(14-11-17)12-9-16-1-5-19(6-2-16)22(24,25)26/h1-8,17H,9-15H2.
What are the key properties of 1-(4-fluorophenyl)-2-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]ethanone?
1-(4-fluorophenyl)-2-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]ethanone has a molecular weight of 393.42 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 10023485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).