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

C14H18F3NO2 — CID 18722987

IUPAC1-methyl-4-[4-(trifluoromethoxymethyl)phenoxy]piperidine
SMILESCN1CCC(Oc2ccc(COC(F)(F)F)cc2)CC1
InChIInChI=1S/C14H18F3NO2/c1-18-8-6-13(7-9-18)20-12-4-2-11(3-5-12)10-19-14(15,16)17/h2-5,13H,6-10H2,1H3
InChIKeyDRMOZWPAXLPPLY-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.20
Rot. Bonds4

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

1-methyl-4-[4-(trifluoromethoxymethyl)phenoxy]piperidine (PubChem CID 18722987) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-methyl-4-[4-(trifluoromethoxymethyl)phenoxy]piperidine.

Molecular Properties

Compound Name1-methyl-4-[4-(trifluoromethoxymethyl)phenoxy]piperidine
PubChem CID18722987
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name1-methyl-4-[4-(trifluoromethoxymethyl)phenoxy]piperidine
SMILESCN1CCC(Oc2ccc(COC(F)(F)F)cc2)CC1
InChIInChI=1S/C14H18F3NO2/c1-18-8-6-13(7-9-18)20-12-4-2-11(3-5-12)10-19-14(15,16)17/h2-5,13H,6-10H2,1H3
InChIKeyDRMOZWPAXLPPLY-UHFFFAOYSA-N
XLogP3.20
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(trifluoromethoxymethyl)phenoxy]piperidine?
The IUPAC name of 1-methyl-4-[4-(trifluoromethoxymethyl)phenoxy]piperidine (CID 18722987) is 1-methyl-4-[4-(trifluoromethoxymethyl)phenoxy]piperidine.
What is the SMILES notation for 1-methyl-4-[4-(trifluoromethoxymethyl)phenoxy]piperidine?
The canonical SMILES for 1-methyl-4-[4-(trifluoromethoxymethyl)phenoxy]piperidine is CN1CCC(Oc2ccc(COC(F)(F)F)cc2)CC1.
What is the InChIKey of 1-methyl-4-[4-(trifluoromethoxymethyl)phenoxy]piperidine?
The InChIKey is DRMOZWPAXLPPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-18-8-6-13(7-9-18)20-12-4-2-11(3-5-12)10-19-14(15,16)17/h2-5,13H,6-10H2,1H3.
What are the key properties of 1-methyl-4-[4-(trifluoromethoxymethyl)phenoxy]piperidine?
1-methyl-4-[4-(trifluoromethoxymethyl)phenoxy]piperidine has a molecular weight of 289.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(trifluoromethoxymethyl)phenoxy]piperidine is sourced from PubChem (CID 18722987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).