2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)piperidine

C18H23F3N2O — CID 162568208

IUPAC2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCC(Oc2cccc(C=C3CCNCC3)c2)NC1
InChIInChI=1S/C18H23F3N2O/c19-18(20,21)15-4-5-17(23-12-15)24-16-3-1-2-14(11-16)10-13-6-8-22-9-7-13/h1-3,10-11,15,17,22-23H,4-9,12H2
InChIKeyYAUVOYSJYUSIMU-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.72
Rot. Bonds3

About 2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)piperidine

2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)piperidine (PubChem CID 162568208) has the molecular formula C18H23F3N2O and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)piperidine
PubChem CID162568208
Molecular FormulaC18H23F3N2O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCC(Oc2cccc(C=C3CCNCC3)c2)NC1
InChIInChI=1S/C18H23F3N2O/c19-18(20,21)15-4-5-17(23-12-15)24-16-3-1-2-14(11-16)10-13-6-8-22-9-7-13/h1-3,10-11,15,17,22-23H,4-9,12H2
InChIKeyYAUVOYSJYUSIMU-UHFFFAOYSA-N
XLogP3.72
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)piperidine?
The IUPAC name of 2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)piperidine (CID 162568208) is 2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)piperidine?
The canonical SMILES for 2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)piperidine is FC(F)(F)C1CCC(Oc2cccc(C=C3CCNCC3)c2)NC1.
What is the InChIKey of 2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)piperidine?
The InChIKey is YAUVOYSJYUSIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O/c19-18(20,21)15-4-5-17(23-12-15)24-16-3-1-2-14(11-16)10-13-6-8-22-9-7-13/h1-3,10-11,15,17,22-23H,4-9,12H2.
What are the key properties of 2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)piperidine?
2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)piperidine has a molecular weight of 340.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)piperidine is sourced from PubChem (CID 162568208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).