4-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]piperidine

C20H22F3NO — CID 10548166

IUPAC4-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]piperidine
SMILESFC(F)(F)c1ccccc1COCC1(c2ccccc2)CCNCC1
InChIInChI=1S/C20H22F3NO/c21-20(22,23)18-9-5-4-6-16(18)14-25-15-19(10-12-24-13-11-19)17-7-2-1-3-8-17/h1-9,24H,10-15H2
InChIKeyTVOGWRZXEVJDQP-UHFFFAOYSA-N
MW349.40 g/mol
LogP4.54
Rot. Bonds5

About 4-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]piperidine

4-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]piperidine (PubChem CID 10548166) has the molecular formula C20H22F3NO and a molecular weight of 349.40 g/mol. Its IUPAC name is 4-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]piperidine.

Molecular Properties

Compound Name4-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]piperidine
PubChem CID10548166
Molecular FormulaC20H22F3NO
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name4-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]piperidine
SMILESFC(F)(F)c1ccccc1COCC1(c2ccccc2)CCNCC1
InChIInChI=1S/C20H22F3NO/c21-20(22,23)18-9-5-4-6-16(18)14-25-15-19(10-12-24-13-11-19)17-7-2-1-3-8-17/h1-9,24H,10-15H2
InChIKeyTVOGWRZXEVJDQP-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]piperidine?
The IUPAC name of 4-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]piperidine (CID 10548166) is 4-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]piperidine.
What is the SMILES notation for 4-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]piperidine?
The canonical SMILES for 4-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]piperidine is FC(F)(F)c1ccccc1COCC1(c2ccccc2)CCNCC1.
What is the InChIKey of 4-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]piperidine?
The InChIKey is TVOGWRZXEVJDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO/c21-20(22,23)18-9-5-4-6-16(18)14-25-15-19(10-12-24-13-11-19)17-7-2-1-3-8-17/h1-9,24H,10-15H2.
What are the key properties of 4-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]piperidine?
4-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]piperidine has a molecular weight of 349.40 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-[[2-(trifluoromethyl)phenyl]methoxymethyl]piperidine is sourced from PubChem (CID 10548166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).