4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine

C21H24F3NO — CID 23294464

IUPAC4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
SMILESFC(F)(F)c1cccc(OCCN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H24F3NO/c22-21(23,24)19-7-4-8-20(16-19)26-14-13-25-11-9-18(10-12-25)15-17-5-2-1-3-6-17/h1-8,16,18H,9-15H2
InChIKeyVWUHMMQVNJLNKY-UHFFFAOYSA-N
MW363.42 g/mol
LogP5.04
Rot. Bonds6

About 4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine

4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine (PubChem CID 23294464) has the molecular formula C21H24F3NO and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
PubChem CID23294464
Molecular FormulaC21H24F3NO
Molecular Weight363.42 g/mol
Exact Mass363.18
IUPAC Name4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
SMILESFC(F)(F)c1cccc(OCCN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H24F3NO/c22-21(23,24)19-7-4-8-20(16-19)26-14-13-25-11-9-18(10-12-25)15-17-5-2-1-3-6-17/h1-8,16,18H,9-15H2
InChIKeyVWUHMMQVNJLNKY-UHFFFAOYSA-N
XLogP5.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.42
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-benzyl-1-[2-[3-(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

Related Compounds

4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride
CID 23294547
4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid
CID 2923141
oxalic acid;1-[2-[3-(trifluoromethyl)phenoxy]ethyl]azepane
CID 2944187
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
1-[(3-ethoxyphenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 42691442
(3S)-3-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 887526
3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine
CID 67647985
1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride
CID 117067777
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexan-1-amine
CID 68903645
[4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate
CID 15952046
1-[2-(2,4-difluorophenoxy)ethyl]-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine
CID 68945958

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine?
The IUPAC name of 4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine (CID 23294464) is 4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine?
The canonical SMILES for 4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine is FC(F)(F)c1cccc(OCCN2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine?
The InChIKey is VWUHMMQVNJLNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO/c22-21(23,24)19-7-4-8-20(16-19)26-14-13-25-11-9-18(10-12-25)15-17-5-2-1-3-6-17/h1-8,16,18H,9-15H2.
What are the key properties of 4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine?
4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine has a molecular weight of 363.42 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 23294464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).