2,2,2-trifluoro-1-(4-phenylpiperidin-1-yl)ethanone

C13H14F3NO — CID 18348438

IUPAC2,2,2-trifluoro-1-(4-phenylpiperidin-1-yl)ethanone
SMILESO=C(N1CCC(c2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C13H14F3NO/c14-13(15,16)12(18)17-8-6-11(7-9-17)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyFSLXROAVEZTTJV-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.95
Rot. Bonds1

About 2,2,2-trifluoro-1-(4-phenylpiperidin-1-yl)ethanone

2,2,2-trifluoro-1-(4-phenylpiperidin-1-yl)ethanone (PubChem CID 18348438) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-phenylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-phenylpiperidin-1-yl)ethanone
PubChem CID18348438
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2,2,2-trifluoro-1-(4-phenylpiperidin-1-yl)ethanone
SMILESO=C(N1CCC(c2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C13H14F3NO/c14-13(15,16)12(18)17-8-6-11(7-9-17)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyFSLXROAVEZTTJV-UHFFFAOYSA-N
XLogP2.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

AI3-37157
CID 760213
AI3-37156
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Glutarimide, N-ethyl-3-phenyl-
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CID 299608
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1-Propyl-4-(3-trifluoromethyl-phenyl)-piperidine
CID 22397830
Piperidine, 1-(1-oxo-3-phenyl-2-propenyl)-
CID 223147
(E)-3-Phenyl-1-Piperidin-1-Ylprop-2-En-1-One
CID 764160
3-Phenyl-1-piperidino-2-propyn-1-one
CID 99266
1-(4-Benzylpiperidin-1-yl)-2-chloroethan-1-one
CID 1129608
N-benzyl-2,2,2-trifluoro-N-methylacetamide
CID 563406
1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 21133880

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-phenylpiperidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-phenylpiperidin-1-yl)ethanone (CID 18348438) is 2,2,2-trifluoro-1-(4-phenylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-phenylpiperidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-phenylpiperidin-1-yl)ethanone is O=C(N1CCC(c2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(4-phenylpiperidin-1-yl)ethanone?
The InChIKey is FSLXROAVEZTTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-13(15,16)12(18)17-8-6-11(7-9-17)10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of 2,2,2-trifluoro-1-(4-phenylpiperidin-1-yl)ethanone?
2,2,2-trifluoro-1-(4-phenylpiperidin-1-yl)ethanone has a molecular weight of 257.25 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-phenylpiperidin-1-yl)ethanone is sourced from PubChem (CID 18348438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).