1-methyl-4-[4-[2-(trifluoromethoxy)ethyl]phenoxy]piperidine

C15H20F3NO2 — CID 18722975

IUPAC1-methyl-4-[4-[2-(trifluoromethoxy)ethyl]phenoxy]piperidine
SMILESCN1CCC(Oc2ccc(CCOC(F)(F)F)cc2)CC1
InChIInChI=1S/C15H20F3NO2/c1-19-9-6-14(7-10-19)21-13-4-2-12(3-5-13)8-11-20-15(16,17)18/h2-5,14H,6-11H2,1H3
InChIKeyVDDUJAUZMVRFJH-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.24
Rot. Bonds5

About 1-methyl-4-[4-[2-(trifluoromethoxy)ethyl]phenoxy]piperidine

1-methyl-4-[4-[2-(trifluoromethoxy)ethyl]phenoxy]piperidine (PubChem CID 18722975) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-methyl-4-[4-[2-(trifluoromethoxy)ethyl]phenoxy]piperidine.

Molecular Properties

Compound Name1-methyl-4-[4-[2-(trifluoromethoxy)ethyl]phenoxy]piperidine
PubChem CID18722975
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name1-methyl-4-[4-[2-(trifluoromethoxy)ethyl]phenoxy]piperidine
SMILESCN1CCC(Oc2ccc(CCOC(F)(F)F)cc2)CC1
InChIInChI=1S/C15H20F3NO2/c1-19-9-6-14(7-10-19)21-13-4-2-12(3-5-13)8-11-20-15(16,17)18/h2-5,14H,6-11H2,1H3
InChIKeyVDDUJAUZMVRFJH-UHFFFAOYSA-N
XLogP3.24
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.24
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-[2-(trifluoromethoxy)ethyl]phenoxy]piperidine?
The IUPAC name of 1-methyl-4-[4-[2-(trifluoromethoxy)ethyl]phenoxy]piperidine (CID 18722975) is 1-methyl-4-[4-[2-(trifluoromethoxy)ethyl]phenoxy]piperidine.
What is the SMILES notation for 1-methyl-4-[4-[2-(trifluoromethoxy)ethyl]phenoxy]piperidine?
The canonical SMILES for 1-methyl-4-[4-[2-(trifluoromethoxy)ethyl]phenoxy]piperidine is CN1CCC(Oc2ccc(CCOC(F)(F)F)cc2)CC1.
What is the InChIKey of 1-methyl-4-[4-[2-(trifluoromethoxy)ethyl]phenoxy]piperidine?
The InChIKey is VDDUJAUZMVRFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-19-9-6-14(7-10-19)21-13-4-2-12(3-5-13)8-11-20-15(16,17)18/h2-5,14H,6-11H2,1H3.
What are the key properties of 1-methyl-4-[4-[2-(trifluoromethoxy)ethyl]phenoxy]piperidine?
1-methyl-4-[4-[2-(trifluoromethoxy)ethyl]phenoxy]piperidine has a molecular weight of 303.32 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[2-(trifluoromethoxy)ethyl]phenoxy]piperidine is sourced from PubChem (CID 18722975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).