4-methyl-1-[4-(trifluoromethyl)phenoxy]piperidine

C13H16F3NO — CID 67274811

IUPAC4-methyl-1-[4-(trifluoromethyl)phenoxy]piperidine
SMILESCC1CCN(Oc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C13H16F3NO/c1-10-6-8-17(9-7-10)18-12-4-2-11(3-5-12)13(14,15)16/h2-5,10H,6-9H2,1H3
InChIKeyRPRFQHVCMKJCQL-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.73
Rot. Bonds2

About 4-methyl-1-[4-(trifluoromethyl)phenoxy]piperidine

4-methyl-1-[4-(trifluoromethyl)phenoxy]piperidine (PubChem CID 67274811) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-methyl-1-[4-(trifluoromethyl)phenoxy]piperidine.

Molecular Properties

Compound Name4-methyl-1-[4-(trifluoromethyl)phenoxy]piperidine
PubChem CID67274811
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name4-methyl-1-[4-(trifluoromethyl)phenoxy]piperidine
SMILESCC1CCN(Oc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C13H16F3NO/c1-10-6-8-17(9-7-10)18-12-4-2-11(3-5-12)13(14,15)16/h2-5,10H,6-9H2,1H3
InChIKeyRPRFQHVCMKJCQL-UHFFFAOYSA-N
XLogP3.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(trifluoromethyl)phenoxy]piperidine?
The IUPAC name of 4-methyl-1-[4-(trifluoromethyl)phenoxy]piperidine (CID 67274811) is 4-methyl-1-[4-(trifluoromethyl)phenoxy]piperidine.
What is the SMILES notation for 4-methyl-1-[4-(trifluoromethyl)phenoxy]piperidine?
The canonical SMILES for 4-methyl-1-[4-(trifluoromethyl)phenoxy]piperidine is CC1CCN(Oc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-methyl-1-[4-(trifluoromethyl)phenoxy]piperidine?
The InChIKey is RPRFQHVCMKJCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-10-6-8-17(9-7-10)18-12-4-2-11(3-5-12)13(14,15)16/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-methyl-1-[4-(trifluoromethyl)phenoxy]piperidine?
4-methyl-1-[4-(trifluoromethyl)phenoxy]piperidine has a molecular weight of 259.27 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(trifluoromethyl)phenoxy]piperidine is sourced from PubChem (CID 67274811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).