3-[[4-(trifluoromethyl)phenyl]methoxy]piperidine

C13H16F3NO — CID 46743823

IUPAC3-[[4-(trifluoromethyl)phenyl]methoxy]piperidine
SMILESFC(F)(F)c1ccc(COC2CCCNC2)cc1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-5-3-10(4-6-11)9-18-12-2-1-7-17-8-12/h3-6,12,17H,1-2,7-9H2
InChIKeyVTECVRVQVHCGEJ-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.97
Rot. Bonds3

About 3-[[4-(trifluoromethyl)phenyl]methoxy]piperidine

3-[[4-(trifluoromethyl)phenyl]methoxy]piperidine (PubChem CID 46743823) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)phenyl]methoxy]piperidine.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)phenyl]methoxy]piperidine
PubChem CID46743823
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name3-[[4-(trifluoromethyl)phenyl]methoxy]piperidine
SMILESFC(F)(F)c1ccc(COC2CCCNC2)cc1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-5-3-10(4-6-11)9-18-12-2-1-7-17-8-12/h3-6,12,17H,1-2,7-9H2
InChIKeyVTECVRVQVHCGEJ-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methoxy]piperidine?
The IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methoxy]piperidine (CID 46743823) is 3-[[4-(trifluoromethyl)phenyl]methoxy]piperidine.
What is the SMILES notation for 3-[[4-(trifluoromethyl)phenyl]methoxy]piperidine?
The canonical SMILES for 3-[[4-(trifluoromethyl)phenyl]methoxy]piperidine is FC(F)(F)c1ccc(COC2CCCNC2)cc1.
What is the InChIKey of 3-[[4-(trifluoromethyl)phenyl]methoxy]piperidine?
The InChIKey is VTECVRVQVHCGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)11-5-3-10(4-6-11)9-18-12-2-1-7-17-8-12/h3-6,12,17H,1-2,7-9H2.
What are the key properties of 3-[[4-(trifluoromethyl)phenyl]methoxy]piperidine?
3-[[4-(trifluoromethyl)phenyl]methoxy]piperidine has a molecular weight of 259.27 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)phenyl]methoxy]piperidine is sourced from PubChem (CID 46743823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).