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

C20H20F3NO — CID 22378137

IUPAC1-phenyl-2-piperidin-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(c1ccccc1)C(c1ccc(C(F)(F)F)cc1)C1CCCCN1
InChIInChI=1S/C20H20F3NO/c21-20(22,23)16-11-9-14(10-12-16)18(17-8-4-5-13-24-17)19(25)15-6-2-1-3-7-15/h1-3,6-7,9-12,17-18,24H,4-5,8,13H2
InChIKeyWJRBYWCGBMLBRQ-UHFFFAOYSA-N
MW347.38 g/mol
LogP4.81
Rot. Bonds4

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

1-phenyl-2-piperidin-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 22378137) has the molecular formula C20H20F3NO and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-phenyl-2-piperidin-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-phenyl-2-piperidin-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID22378137
Molecular FormulaC20H20F3NO
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name1-phenyl-2-piperidin-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(c1ccccc1)C(c1ccc(C(F)(F)F)cc1)C1CCCCN1
InChIInChI=1S/C20H20F3NO/c21-20(22,23)16-11-9-14(10-12-16)18(17-8-4-5-13-24-17)19(25)15-6-2-1-3-7-15/h1-3,6-7,9-12,17-18,24H,4-5,8,13H2
InChIKeyWJRBYWCGBMLBRQ-UHFFFAOYSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-piperidin-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-phenyl-2-piperidin-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone (CID 22378137) is 1-phenyl-2-piperidin-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-phenyl-2-piperidin-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-phenyl-2-piperidin-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone is O=C(c1ccccc1)C(c1ccc(C(F)(F)F)cc1)C1CCCCN1.
What is the InChIKey of 1-phenyl-2-piperidin-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is WJRBYWCGBMLBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO/c21-20(22,23)16-11-9-14(10-12-16)18(17-8-4-5-13-24-17)19(25)15-6-2-1-3-7-15/h1-3,6-7,9-12,17-18,24H,4-5,8,13H2.
What are the key properties of 1-phenyl-2-piperidin-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone?
1-phenyl-2-piperidin-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 347.38 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-piperidin-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 22378137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).