1-benzyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-one

C19H18F3NO — CID 141447091

IUPAC1-benzyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-one
SMILESO=C1CCCN(Cc2ccccc2)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F3NO/c20-19(21,22)16-10-8-15(9-11-16)18-17(24)7-4-12-23(18)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,18H,4,7,12-13H2
InChIKeyGCUVMLXFSYNLFP-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.61
Rot. Bonds3

About 1-benzyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-one

1-benzyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-one (PubChem CID 141447091) has the molecular formula C19H18F3NO and a molecular weight of 333.35 g/mol. Its IUPAC name is 1-benzyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-one.

Molecular Properties

Compound Name1-benzyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-one
PubChem CID141447091
Molecular FormulaC19H18F3NO
Molecular Weight333.35 g/mol
Exact Mass333.13
IUPAC Name1-benzyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-one
SMILESO=C1CCCN(Cc2ccccc2)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F3NO/c20-19(21,22)16-10-8-15(9-11-16)18-17(24)7-4-12-23(18)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,18H,4,7,12-13H2
InChIKeyGCUVMLXFSYNLFP-UHFFFAOYSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Benzyl-piperidin-4-yl)-(4-fluoro-phenyl)-methanone
CID 11779386
1,3-Dimethyl-2,6-diphenylpiperidin-4-one
CID 284052
1-Ethyl-3,5-dimethyl-2,6-diphenylpiperidin-4-one
CID 2862984
2-(1-Benzyl-piperidin-3-yl)-1-(4-fluoro-phenyl)-ethanone
CID 9972752
2-[1-(4-Fluoro-benzyl)-piperidin-4-yl]-1-(4-fluoro-phenyl)-ethanone
CID 10359210
1-(4-Fluoro-phenyl)-2-[1-(4-trifluoromethyl-benzyl)-piperidin-4-yl]-ethanone
CID 10429790
N-(1-Benzyl-piperidin-4-yl)-2-(4-trifluoromethyl-phenyl)-acetamide
CID 10762065
2-Phenyl-N-[1-(4-trifluoromethyl-benzyl)-piperidin-4-yl]-acetamide
CID 10883323
(4-Fluoro-phenyl)-[1-(4-methyl-benzyl)-piperidin-4-yl]-methanone
CID 43815892
2-(1-Benzylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]ethanone;hydrate
CID 44357841
3-[Bis(4-fluorophenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-one;hydrochloride
CID 56675184
1-(4-Fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 3905680

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-one?
The IUPAC name of 1-benzyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-one (CID 141447091) is 1-benzyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-one.
What is the SMILES notation for 1-benzyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-one?
The canonical SMILES for 1-benzyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-one is O=C1CCCN(Cc2ccccc2)C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-benzyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-one?
The InChIKey is GCUVMLXFSYNLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO/c20-19(21,22)16-10-8-15(9-11-16)18-17(24)7-4-12-23(18)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,18H,4,7,12-13H2.
What are the key properties of 1-benzyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-one?
1-benzyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-one has a molecular weight of 333.35 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-one is sourced from PubChem (CID 141447091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).