4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]piperidine

C13H15F4NO2 — CID 122238069

IUPAC4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]piperidine
SMILESFc1cc(COC2CCNCC2)ccc1OC(F)(F)F
InChIInChI=1S/C13H15F4NO2/c14-11-7-9(1-2-12(11)20-13(15,16)17)8-19-10-3-5-18-6-4-10/h1-2,7,10,18H,3-6,8H2
InChIKeyOCROUHUOBQOXPO-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.99
Rot. Bonds4

About 4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]piperidine

4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]piperidine (PubChem CID 122238069) has the molecular formula C13H15F4NO2 and a molecular weight of 293.26 g/mol. Its IUPAC name is 4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]piperidine.

Molecular Properties

Compound Name4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]piperidine
PubChem CID122238069
Molecular FormulaC13H15F4NO2
Molecular Weight293.26 g/mol
Exact Mass293.10
IUPAC Name4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]piperidine
SMILESFc1cc(COC2CCNCC2)ccc1OC(F)(F)F
InChIInChI=1S/C13H15F4NO2/c14-11-7-9(1-2-12(11)20-13(15,16)17)8-19-10-3-5-18-6-4-10/h1-2,7,10,18H,3-6,8H2
InChIKeyOCROUHUOBQOXPO-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]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-fluoro-4-methoxyphenyl)methoxy]piperidine
CID 43167840
4-[(3,4-difluorophenyl)methoxy]piperidine
CID 67355988
1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 138985666
4-[(4-chlorophenyl)methoxy]piperidine
CID 13194424
(3S)-3-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine
CID 66247179
4-[4-chloro-2-(trifluoromethoxy)phenoxy]piperidine;hydrochloride
CID 159278174
4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidine
CID 68521915
4-(cyclobutyloxymethyl)-1,2-difluorobenzene
CID 155941931
1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one
CID 116572161
4-[(2,3,6-trifluorophenyl)methoxy]piperidine
CID 68519539
4-[(3-methylphenyl)methoxy]piperidine;hydrochloride
CID 45075442
4-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidine
CID 166767477

Frequently Asked Questions

What is the IUPAC name of 4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]piperidine?
The IUPAC name of 4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]piperidine (CID 122238069) is 4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]piperidine.
What is the SMILES notation for 4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]piperidine?
The canonical SMILES for 4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]piperidine is Fc1cc(COC2CCNCC2)ccc1OC(F)(F)F.
What is the InChIKey of 4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]piperidine?
The InChIKey is OCROUHUOBQOXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO2/c14-11-7-9(1-2-12(11)20-13(15,16)17)8-19-10-3-5-18-6-4-10/h1-2,7,10,18H,3-6,8H2.
What are the key properties of 4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]piperidine?
4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]piperidine has a molecular weight of 293.26 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]piperidine is sourced from PubChem (CID 122238069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).