4-[(3S)-oxolan-3-yl]oxy-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine

C17H22F3NO2 — CID 97014206

IUPAC4-[(3S)-oxolan-3-yl]oxy-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccccc1CN1CCC(O[C@H]2CCOC2)CC1
InChIInChI=1S/C17H22F3NO2/c18-17(19,20)16-4-2-1-3-13(16)11-21-8-5-14(6-9-21)23-15-7-10-22-12-15/h1-4,14-15H,5-12H2/t15-/m0/s1
InChIKeyZBIBCLJNLYFYCK-HNNXBMFYSA-N
MW329.36 g/mol
LogP3.48
Rot. Bonds4

About 4-[(3S)-oxolan-3-yl]oxy-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine

4-[(3S)-oxolan-3-yl]oxy-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 97014206) has the molecular formula C17H22F3NO2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-[(3S)-oxolan-3-yl]oxy-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[(3S)-oxolan-3-yl]oxy-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID97014206
Molecular FormulaC17H22F3NO2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name4-[(3S)-oxolan-3-yl]oxy-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
SMILESFC(F)(F)c1ccccc1CN1CCC(O[C@H]2CCOC2)CC1
InChIInChI=1S/C17H22F3NO2/c18-17(19,20)16-4-2-1-3-13(16)11-21-8-5-14(6-9-21)23-15-7-10-22-12-15/h1-4,14-15H,5-12H2/t15-/m0/s1
InChIKeyZBIBCLJNLYFYCK-HNNXBMFYSA-N
XLogP3.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-oxolan-3-yl]oxy-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-[(3S)-oxolan-3-yl]oxy-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine (CID 97014206) is 4-[(3S)-oxolan-3-yl]oxy-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[(3S)-oxolan-3-yl]oxy-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-[(3S)-oxolan-3-yl]oxy-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine is FC(F)(F)c1ccccc1CN1CCC(O[C@H]2CCOC2)CC1.
What is the InChIKey of 4-[(3S)-oxolan-3-yl]oxy-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is ZBIBCLJNLYFYCK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22F3NO2/c18-17(19,20)16-4-2-1-3-13(16)11-21-8-5-14(6-9-21)23-15-7-10-22-12-15/h1-4,14-15H,5-12H2/t15-/m0/s1.
What are the key properties of 4-[(3S)-oxolan-3-yl]oxy-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine?
4-[(3S)-oxolan-3-yl]oxy-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 329.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-oxolan-3-yl]oxy-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 97014206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).