1-methyl-2-[2-phenyl-2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine

C21H24F3NO — CID 54206555

IUPAC1-methyl-2-[2-phenyl-2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine
SMILESCN1CCCCC1CC(Oc1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C21H24F3NO/c1-25-14-8-7-11-17(25)15-20(16-9-3-2-4-10-16)26-19-13-6-5-12-18(19)21(22,23)24/h2-6,9-10,12-13,17,20H,7-8,11,14-15H2,1H3
InChIKeyPSWXHCJFGJEGMH-UHFFFAOYSA-N
MW363.42 g/mol
LogP5.70
Rot. Bonds5

About 1-methyl-2-[2-phenyl-2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine

1-methyl-2-[2-phenyl-2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine (PubChem CID 54206555) has the molecular formula C21H24F3NO and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-methyl-2-[2-phenyl-2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-methyl-2-[2-phenyl-2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine
PubChem CID54206555
Molecular FormulaC21H24F3NO
Molecular Weight363.42 g/mol
Exact Mass363.18
IUPAC Name1-methyl-2-[2-phenyl-2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine
SMILESCN1CCCCC1CC(Oc1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C21H24F3NO/c1-25-14-8-7-11-17(25)15-20(16-9-3-2-4-10-16)26-19-13-6-5-12-18(19)21(22,23)24/h2-6,9-10,12-13,17,20H,7-8,11,14-15H2,1H3
InChIKeyPSWXHCJFGJEGMH-UHFFFAOYSA-N
XLogP5.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.42
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-phenyl-2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine?
The IUPAC name of 1-methyl-2-[2-phenyl-2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine (CID 54206555) is 1-methyl-2-[2-phenyl-2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-methyl-2-[2-phenyl-2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine?
The canonical SMILES for 1-methyl-2-[2-phenyl-2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine is CN1CCCCC1CC(Oc1ccccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of 1-methyl-2-[2-phenyl-2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine?
The InChIKey is PSWXHCJFGJEGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO/c1-25-14-8-7-11-17(25)15-20(16-9-3-2-4-10-16)26-19-13-6-5-12-18(19)21(22,23)24/h2-6,9-10,12-13,17,20H,7-8,11,14-15H2,1H3.
What are the key properties of 1-methyl-2-[2-phenyl-2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine?
1-methyl-2-[2-phenyl-2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine has a molecular weight of 363.42 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-phenyl-2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 54206555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).