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

C13H16F3NO — CID 84806174

IUPAC3-[3-methoxy-4-(trifluoromethyl)phenyl]piperidine
SMILESCOc1cc(C2CCCNC2)ccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-18-12-7-9(10-3-2-6-17-8-10)4-5-11(12)13(14,15)16/h4-5,7,10,17H,2-3,6,8H2,1H3
InChIKeyWIIIJJKJMZLUFT-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.18
Rot. Bonds2

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

3-[3-methoxy-4-(trifluoromethyl)phenyl]piperidine (PubChem CID 84806174) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-[3-methoxy-4-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name3-[3-methoxy-4-(trifluoromethyl)phenyl]piperidine
PubChem CID84806174
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name3-[3-methoxy-4-(trifluoromethyl)phenyl]piperidine
SMILESCOc1cc(C2CCCNC2)ccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-18-12-7-9(10-3-2-6-17-8-10)4-5-11(12)13(14,15)16/h4-5,7,10,17H,2-3,6,8H2,1H3
InChIKeyWIIIJJKJMZLUFT-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 3-[3-methoxy-4-(trifluoromethyl)phenyl]piperidine (CID 84806174) is 3-[3-methoxy-4-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 3-[3-methoxy-4-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 3-[3-methoxy-4-(trifluoromethyl)phenyl]piperidine is COc1cc(C2CCCNC2)ccc1C(F)(F)F.
What is the InChIKey of 3-[3-methoxy-4-(trifluoromethyl)phenyl]piperidine?
The InChIKey is WIIIJJKJMZLUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-18-12-7-9(10-3-2-6-17-8-10)4-5-11(12)13(14,15)16/h4-5,7,10,17H,2-3,6,8H2,1H3.
What are the key properties of 3-[3-methoxy-4-(trifluoromethyl)phenyl]piperidine?
3-[3-methoxy-4-(trifluoromethyl)phenyl]piperidine has a molecular weight of 259.27 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 84806174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).