3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine

C20H19F6NO — CID 4302965

IUPAC3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine
SMILESFC(F)(F)c1cc(COC2CCCNC2c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H19F6NO/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2
InChIKeyFCDRFVCGMLUYPG-UHFFFAOYSA-N
MW403.37 g/mol
LogP5.73
Rot. Bonds4

About 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine

3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine (PubChem CID 4302965) has the molecular formula C20H19F6NO and a molecular weight of 403.37 g/mol. Its IUPAC name is 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine.

Molecular Properties

Compound Name3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine
PubChem CID4302965
Molecular FormulaC20H19F6NO
Molecular Weight403.37 g/mol
Exact Mass403.14
IUPAC Name3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine
SMILESFC(F)(F)c1cc(COC2CCCNC2c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H19F6NO/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2
InChIKeyFCDRFVCGMLUYPG-UHFFFAOYSA-N
XLogP5.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.37
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine?
The IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine (CID 4302965) is 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine.
What is the SMILES notation for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine?
The canonical SMILES for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine is FC(F)(F)c1cc(COC2CCCNC2c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine?
The InChIKey is FCDRFVCGMLUYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6NO/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2.
What are the key properties of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine?
3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine has a molecular weight of 403.37 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine is sourced from PubChem (CID 4302965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).