1-[4-[piperidin-4-ylidene-[2-(trifluoromethyl)phenyl]methyl]phenyl]ethanone

C21H20F3NO — CID 23383803

IUPAC1-[4-[piperidin-4-ylidene-[2-(trifluoromethyl)phenyl]methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(=C2CCNCC2)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C21H20F3NO/c1-14(26)15-6-8-16(9-7-15)20(17-10-12-25-13-11-17)18-4-2-3-5-19(18)21(22,23)24/h2-9,25H,10-13H2,1H3
InChIKeyCNRHCJKGSKZLJV-UHFFFAOYSA-N
MW359.39 g/mol
LogP5.09
Rot. Bonds3

About 1-[4-[piperidin-4-ylidene-[2-(trifluoromethyl)phenyl]methyl]phenyl]ethanone

1-[4-[piperidin-4-ylidene-[2-(trifluoromethyl)phenyl]methyl]phenyl]ethanone (PubChem CID 23383803) has the molecular formula C21H20F3NO and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-[4-[piperidin-4-ylidene-[2-(trifluoromethyl)phenyl]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[piperidin-4-ylidene-[2-(trifluoromethyl)phenyl]methyl]phenyl]ethanone
PubChem CID23383803
Molecular FormulaC21H20F3NO
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name1-[4-[piperidin-4-ylidene-[2-(trifluoromethyl)phenyl]methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(=C2CCNCC2)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C21H20F3NO/c1-14(26)15-6-8-16(9-7-15)20(17-10-12-25-13-11-17)18-4-2-3-5-19(18)21(22,23)24/h2-9,25H,10-13H2,1H3
InChIKeyCNRHCJKGSKZLJV-UHFFFAOYSA-N
XLogP5.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.39
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Fluorobenzoyl)piperidine
CID 2724440
4-(4-Methylbenzoyl)piperidine hydrochloride
CID 2740817
Buronil
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4-Biphenylyl(1-methyl-3-piperidinyl)methanone
CID 23723212
1-(4-Fluoro-phenyl)-4-(4-phenyl-piperidin-1-yl)-butan-1-one
CID 13869644
4-(4-phenylpiperidin-1-yl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one
CID 57398087
4-(4-(p-Fluorobenzoyl)piperidino)-4'-fluorobutyrophenone hydrochloride
CID 32592
1-{[1,1'-Biphenyl]-4-yl}-3-(piperidin-1-yl)propan-1-one hydrochloride
CID 2797790
1-(4-Fluoro-phenyl)-2-{1-[2-(4-trifluoromethyl-phenyl)-ethyl]-piperidin-4-yl}-ethanone
CID 10023485
1-(2,5-Dimethylphenyl)-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]butan-1-one
CID 52943802
(4-Methylphenyl)-[1-(3-phenylpropyl)piperidin-4-yl]methanone
CID 122181606
Phenyl(1,2,3,4-tetrahydro-7-isoquinolinyl)methanone
CID 10492525

Frequently Asked Questions

What is the IUPAC name of 1-[4-[piperidin-4-ylidene-[2-(trifluoromethyl)phenyl]methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[piperidin-4-ylidene-[2-(trifluoromethyl)phenyl]methyl]phenyl]ethanone (CID 23383803) is 1-[4-[piperidin-4-ylidene-[2-(trifluoromethyl)phenyl]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[piperidin-4-ylidene-[2-(trifluoromethyl)phenyl]methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[piperidin-4-ylidene-[2-(trifluoromethyl)phenyl]methyl]phenyl]ethanone is CC(=O)c1ccc(C(=C2CCNCC2)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 1-[4-[piperidin-4-ylidene-[2-(trifluoromethyl)phenyl]methyl]phenyl]ethanone?
The InChIKey is CNRHCJKGSKZLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO/c1-14(26)15-6-8-16(9-7-15)20(17-10-12-25-13-11-17)18-4-2-3-5-19(18)21(22,23)24/h2-9,25H,10-13H2,1H3.
What are the key properties of 1-[4-[piperidin-4-ylidene-[2-(trifluoromethyl)phenyl]methyl]phenyl]ethanone?
1-[4-[piperidin-4-ylidene-[2-(trifluoromethyl)phenyl]methyl]phenyl]ethanone has a molecular weight of 359.39 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[piperidin-4-ylidene-[2-(trifluoromethyl)phenyl]methyl]phenyl]ethanone is sourced from PubChem (CID 23383803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).