[4-(trifluoromethyl)phenyl]-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone

C21H19F6NO2 — CID 46028655

IUPAC[4-(trifluoromethyl)phenyl]-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCCC(OCc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C21H19F6NO2/c22-20(23,24)16-7-3-14(4-8-16)13-30-18-2-1-11-28(12-18)19(29)15-5-9-17(10-6-15)21(25,26)27/h3-10,18H,1-2,11-13H2
InChIKeyBJXOEYYZVMOLKG-UHFFFAOYSA-N
MW431.38 g/mol
LogP5.55
Rot. Bonds4

About [4-(trifluoromethyl)phenyl]-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone

[4-(trifluoromethyl)phenyl]-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone (PubChem CID 46028655) has the molecular formula C21H19F6NO2 and a molecular weight of 431.38 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
PubChem CID46028655
Molecular FormulaC21H19F6NO2
Molecular Weight431.38 g/mol
Exact Mass431.13
IUPAC Name[4-(trifluoromethyl)phenyl]-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCCC(OCc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C21H19F6NO2/c22-20(23,24)16-7-3-14(4-8-16)13-30-18-2-1-11-28(12-18)19(29)15-5-9-17(10-6-15)21(25,26)27/h3-10,18H,1-2,11-13H2
InChIKeyBJXOEYYZVMOLKG-UHFFFAOYSA-N
XLogP5.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.38
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl]-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone?
The IUPAC name of [4-(trifluoromethyl)phenyl]-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone (CID 46028655) is [4-(trifluoromethyl)phenyl]-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone?
The canonical SMILES for [4-(trifluoromethyl)phenyl]-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCCC(OCc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone?
The InChIKey is BJXOEYYZVMOLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F6NO2/c22-20(23,24)16-7-3-14(4-8-16)13-30-18-2-1-11-28(12-18)19(29)15-5-9-17(10-6-15)21(25,26)27/h3-10,18H,1-2,11-13H2.
What are the key properties of [4-(trifluoromethyl)phenyl]-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone?
[4-(trifluoromethyl)phenyl]-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone has a molecular weight of 431.38 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 46028655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).