4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-2-one

C21H19F6NO2 — CID 71583092

IUPAC4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-2-one
SMILESO=C1CC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CCN1
InChIInChI=1S/C21H19F6NO2/c22-20(23,24)16-8-14(9-17(10-16)21(25,26)27)12-30-13-19(6-7-28-18(29)11-19)15-4-2-1-3-5-15/h1-5,8-10H,6-7,11-13H2,(H,28,29)
InChIKeyHBDJTAXFKXXUNZ-UHFFFAOYSA-N
MW431.38 g/mol
LogP5.09
Rot. Bonds5

About 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-2-one

4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-2-one (PubChem CID 71583092) has the molecular formula C21H19F6NO2 and a molecular weight of 431.38 g/mol. Its IUPAC name is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-2-one.

Molecular Properties

Compound Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-2-one
PubChem CID71583092
Molecular FormulaC21H19F6NO2
Molecular Weight431.38 g/mol
Exact Mass431.13
IUPAC Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-2-one
SMILESO=C1CC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CCN1
InChIInChI=1S/C21H19F6NO2/c22-20(23,24)16-8-14(9-17(10-16)21(25,26)27)12-30-13-19(6-7-28-18(29)11-19)15-4-2-1-3-5-15/h1-5,8-10H,6-7,11-13H2,(H,28,29)
InChIKeyHBDJTAXFKXXUNZ-UHFFFAOYSA-N
XLogP5.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.38
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-2-one?
The IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-2-one (CID 71583092) is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-2-one.
What is the SMILES notation for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-2-one?
The canonical SMILES for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-2-one is O=C1CC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CCN1.
What is the InChIKey of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-2-one?
The InChIKey is HBDJTAXFKXXUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F6NO2/c22-20(23,24)16-8-14(9-17(10-16)21(25,26)27)12-30-13-19(6-7-28-18(29)11-19)15-4-2-1-3-5-15/h1-5,8-10H,6-7,11-13H2,(H,28,29).
What are the key properties of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-2-one?
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-2-one has a molecular weight of 431.38 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-2-one is sourced from PubChem (CID 71583092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).