4-[[2-fluoro-4-(2-fluoroethyl)phenoxy]methyl]-1-methylpiperidine

C15H21F2NO — CID 146589278

IUPAC4-[[2-fluoro-4-(2-fluoroethyl)phenoxy]methyl]-1-methylpiperidine
SMILESCN1CCC(COc2ccc(CCF)cc2F)CC1
InChIInChI=1S/C15H21F2NO/c1-18-8-5-13(6-9-18)11-19-15-3-2-12(4-7-16)10-14(15)17/h2-3,10,13H,4-9,11H2,1H3
InChIKeyXSUVXENVFGLFMI-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.06
Rot. Bonds5

About 4-[[2-fluoro-4-(2-fluoroethyl)phenoxy]methyl]-1-methylpiperidine

4-[[2-fluoro-4-(2-fluoroethyl)phenoxy]methyl]-1-methylpiperidine (PubChem CID 146589278) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-[[2-fluoro-4-(2-fluoroethyl)phenoxy]methyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[[2-fluoro-4-(2-fluoroethyl)phenoxy]methyl]-1-methylpiperidine
PubChem CID146589278
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name4-[[2-fluoro-4-(2-fluoroethyl)phenoxy]methyl]-1-methylpiperidine
SMILESCN1CCC(COc2ccc(CCF)cc2F)CC1
InChIInChI=1S/C15H21F2NO/c1-18-8-5-13(6-9-18)11-19-15-3-2-12(4-7-16)10-14(15)17/h2-3,10,13H,4-9,11H2,1H3
InChIKeyXSUVXENVFGLFMI-UHFFFAOYSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[[2-fluoro-4-(2-fluoroethyl)phenoxy]methyl]-1-methylpiperidine 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

2-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]ethanamine
CID 170886569
[3-fluoro-4-[(1-methylpiperidin-4-yl)methoxy]phenyl]thiourea
CID 169358061
4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene
CID 107691255
1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine
CID 107686421
2-fluoro-1-[(4-pentylcyclohexyl)methoxy]-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19008189
4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane
CID 143666320
[1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 120837699
[3-fluoro-4-(oxan-4-ylmethoxy)phenyl]methanol
CID 107690757
[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 107690789
1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene
CID 67791440
(E)-2-[[4-(cyclopropylmethoxy)-3-fluorophenyl]methyl]-3-fluoroprop-2-en-1-amine
CID 66982673
1-[3-[4-(cyclopropylmethoxy)-3-propylphenyl]propyl]-4-methylpiperazine
CID 170863803

Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-4-(2-fluoroethyl)phenoxy]methyl]-1-methylpiperidine?
The IUPAC name of 4-[[2-fluoro-4-(2-fluoroethyl)phenoxy]methyl]-1-methylpiperidine (CID 146589278) is 4-[[2-fluoro-4-(2-fluoroethyl)phenoxy]methyl]-1-methylpiperidine.
What is the SMILES notation for 4-[[2-fluoro-4-(2-fluoroethyl)phenoxy]methyl]-1-methylpiperidine?
The canonical SMILES for 4-[[2-fluoro-4-(2-fluoroethyl)phenoxy]methyl]-1-methylpiperidine is CN1CCC(COc2ccc(CCF)cc2F)CC1.
What is the InChIKey of 4-[[2-fluoro-4-(2-fluoroethyl)phenoxy]methyl]-1-methylpiperidine?
The InChIKey is XSUVXENVFGLFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-18-8-5-13(6-9-18)11-19-15-3-2-12(4-7-16)10-14(15)17/h2-3,10,13H,4-9,11H2,1H3.
What are the key properties of 4-[[2-fluoro-4-(2-fluoroethyl)phenoxy]methyl]-1-methylpiperidine?
4-[[2-fluoro-4-(2-fluoroethyl)phenoxy]methyl]-1-methylpiperidine has a molecular weight of 269.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-4-(2-fluoroethyl)phenoxy]methyl]-1-methylpiperidine is sourced from PubChem (CID 146589278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).