1-(2-fluoroethyl)-4-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]piperidine

C17H23F4NO — CID 90836380

IUPAC1-(2-fluoroethyl)-4-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]piperidine
SMILESCc1ccc(C(F)(F)F)c(OCCC2CCN(CCF)CC2)c1
InChIInChI=1S/C17H23F4NO/c1-13-2-3-15(17(19,20)21)16(12-13)23-11-6-14-4-8-22(9-5-14)10-7-18/h2-3,12,14H,4-11H2,1H3
InChIKeyKORGJUHAIXLCTQ-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.46
Rot. Bonds6

About 1-(2-fluoroethyl)-4-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]piperidine

1-(2-fluoroethyl)-4-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]piperidine (PubChem CID 90836380) has the molecular formula C17H23F4NO and a molecular weight of 333.37 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]piperidine
PubChem CID90836380
Molecular FormulaC17H23F4NO
Molecular Weight333.37 g/mol
Exact Mass333.17
IUPAC Name1-(2-fluoroethyl)-4-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]piperidine
SMILESCc1ccc(C(F)(F)F)c(OCCC2CCN(CCF)CC2)c1
InChIInChI=1S/C17H23F4NO/c1-13-2-3-15(17(19,20)21)16(12-13)23-11-6-14-4-8-22(9-5-14)10-7-18/h2-3,12,14H,4-11H2,1H3
InChIKeyKORGJUHAIXLCTQ-UHFFFAOYSA-N
XLogP4.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluoroethyl)-4-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]piperidine?
The IUPAC name of 1-(2-fluoroethyl)-4-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]piperidine (CID 90836380) is 1-(2-fluoroethyl)-4-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]piperidine?
The canonical SMILES for 1-(2-fluoroethyl)-4-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]piperidine is Cc1ccc(C(F)(F)F)c(OCCC2CCN(CCF)CC2)c1.
What is the InChIKey of 1-(2-fluoroethyl)-4-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]piperidine?
The InChIKey is KORGJUHAIXLCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F4NO/c1-13-2-3-15(17(19,20)21)16(12-13)23-11-6-14-4-8-22(9-5-14)10-7-18/h2-3,12,14H,4-11H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]piperidine?
1-(2-fluoroethyl)-4-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]piperidine has a molecular weight of 333.37 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 90836380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).