1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone

C21H22F3NO — CID 22247923

IUPAC1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccccc1C(F)(F)F)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H22F3NO/c22-21(23,24)19-9-5-4-8-18(19)14-20(26)17-10-12-25(13-11-17)15-16-6-2-1-3-7-16/h1-9,17H,10-15H2
InChIKeyBQJWJLPXRINPBM-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.73
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone

1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone (PubChem CID 22247923) has the molecular formula C21H22F3NO and a molecular weight of 361.41 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
PubChem CID22247923
Molecular FormulaC21H22F3NO
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccccc1C(F)(F)F)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H22F3NO/c22-21(23,24)19-9-5-4-8-18(19)14-20(26)17-10-12-25(13-11-17)15-16-6-2-1-3-7-16/h1-9,17H,10-15H2
InChIKeyBQJWJLPXRINPBM-UHFFFAOYSA-N
XLogP4.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 11793930
1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone
CID 22247948
pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone
CID 134058330
N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18089156
N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 42542209
1-[(4-chlorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine;oxalic acid
CID 126476503
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
1-(1-benzylpiperidin-4-yl)butane-1,3-dione
CID 82665728
1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 55378502
1-(1-benzylpiperidin-4-yl)-2-(2-fluorocyclohepta-1,3,5-trien-1-yl)ethanone
CID 142816425
1-benzylpiperidine-4-carbothioic S-acid
CID 154705821
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone (CID 22247923) is 1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone is O=C(Cc1ccccc1C(F)(F)F)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is BQJWJLPXRINPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO/c22-21(23,24)19-9-5-4-8-18(19)14-20(26)17-10-12-25(13-11-17)15-16-6-2-1-3-7-16/h1-9,17H,10-15H2.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 361.41 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 22247923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).