4-phenyl-4-[[3-(trifluoromethoxy)phenyl]methoxymethyl]piperidine

C20H22F3NO2 — CID 10834930

IUPAC4-phenyl-4-[[3-(trifluoromethoxy)phenyl]methoxymethyl]piperidine
SMILESFC(F)(F)Oc1cccc(COCC2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C20H22F3NO2/c21-20(22,23)26-18-8-4-5-16(13-18)14-25-15-19(9-11-24-12-10-19)17-6-2-1-3-7-17/h1-8,13,24H,9-12,14-15H2
InChIKeyQSUSVQBWSZZTNK-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.42
Rot. Bonds6

About 4-phenyl-4-[[3-(trifluoromethoxy)phenyl]methoxymethyl]piperidine

4-phenyl-4-[[3-(trifluoromethoxy)phenyl]methoxymethyl]piperidine (PubChem CID 10834930) has the molecular formula C20H22F3NO2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 4-phenyl-4-[[3-(trifluoromethoxy)phenyl]methoxymethyl]piperidine.

Molecular Properties

Compound Name4-phenyl-4-[[3-(trifluoromethoxy)phenyl]methoxymethyl]piperidine
PubChem CID10834930
Molecular FormulaC20H22F3NO2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name4-phenyl-4-[[3-(trifluoromethoxy)phenyl]methoxymethyl]piperidine
SMILESFC(F)(F)Oc1cccc(COCC2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C20H22F3NO2/c21-20(22,23)26-18-8-4-5-16(13-18)14-25-15-19(9-11-24-12-10-19)17-6-2-1-3-7-17/h1-8,13,24H,9-12,14-15H2
InChIKeyQSUSVQBWSZZTNK-UHFFFAOYSA-N
XLogP4.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-[[3-(trifluoromethoxy)phenyl]methoxymethyl]piperidine?
The IUPAC name of 4-phenyl-4-[[3-(trifluoromethoxy)phenyl]methoxymethyl]piperidine (CID 10834930) is 4-phenyl-4-[[3-(trifluoromethoxy)phenyl]methoxymethyl]piperidine.
What is the SMILES notation for 4-phenyl-4-[[3-(trifluoromethoxy)phenyl]methoxymethyl]piperidine?
The canonical SMILES for 4-phenyl-4-[[3-(trifluoromethoxy)phenyl]methoxymethyl]piperidine is FC(F)(F)Oc1cccc(COCC2(c3ccccc3)CCNCC2)c1.
What is the InChIKey of 4-phenyl-4-[[3-(trifluoromethoxy)phenyl]methoxymethyl]piperidine?
The InChIKey is QSUSVQBWSZZTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO2/c21-20(22,23)26-18-8-4-5-16(13-18)14-25-15-19(9-11-24-12-10-19)17-6-2-1-3-7-17/h1-8,13,24H,9-12,14-15H2.
What are the key properties of 4-phenyl-4-[[3-(trifluoromethoxy)phenyl]methoxymethyl]piperidine?
4-phenyl-4-[[3-(trifluoromethoxy)phenyl]methoxymethyl]piperidine has a molecular weight of 365.40 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-[[3-(trifluoromethoxy)phenyl]methoxymethyl]piperidine is sourced from PubChem (CID 10834930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).