2-[bis(4-fluorophenyl)methoxy]-1-ethylpiperidine

C20H23F2NO — CID 67650104

IUPAC2-[bis(4-fluorophenyl)methoxy]-1-ethylpiperidine
SMILESCCN1CCCCC1OC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H23F2NO/c1-2-23-14-4-3-5-19(23)24-20(15-6-10-17(21)11-7-15)16-8-12-18(22)13-9-16/h6-13,19-20H,2-5,14H2,1H3
InChIKeyQRVHCUFIYLXCGJ-UHFFFAOYSA-N
MW331.41 g/mol
LogP4.90
Rot. Bonds5

About 2-[bis(4-fluorophenyl)methoxy]-1-ethylpiperidine

2-[bis(4-fluorophenyl)methoxy]-1-ethylpiperidine (PubChem CID 67650104) has the molecular formula C20H23F2NO and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methoxy]-1-ethylpiperidine.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methoxy]-1-ethylpiperidine
PubChem CID67650104
Molecular FormulaC20H23F2NO
Molecular Weight331.41 g/mol
Exact Mass331.17
IUPAC Name2-[bis(4-fluorophenyl)methoxy]-1-ethylpiperidine
SMILESCCN1CCCCC1OC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H23F2NO/c1-2-23-14-4-3-5-19(23)24-20(15-6-10-17(21)11-7-15)16-8-12-18(22)13-9-16/h6-13,19-20H,2-5,14H2,1H3
InChIKeyQRVHCUFIYLXCGJ-UHFFFAOYSA-N
XLogP4.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-ethylpiperazin-2-yl)oxy-(4-hydroxyphenyl)methyl]phenol
CID 67083400
4-(2-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol
CID 22269407
(1S,5R)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 24978533
1-(4-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine
CID 43095992
2-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107519853
2-(4-fluorophenyl)-1-(2-methylpropyl)azepane
CID 90816221
(1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol
CID 129392359
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
CID 3024524
1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(4-fluorophenyl)-2-methoxyethyl]guanidine;hydroiodide
CID 111713883
3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645120
(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octane
CID 10714990
1-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 111106746

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methoxy]-1-ethylpiperidine?
The IUPAC name of 2-[bis(4-fluorophenyl)methoxy]-1-ethylpiperidine (CID 67650104) is 2-[bis(4-fluorophenyl)methoxy]-1-ethylpiperidine.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methoxy]-1-ethylpiperidine?
The canonical SMILES for 2-[bis(4-fluorophenyl)methoxy]-1-ethylpiperidine is CCN1CCCCC1OC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[bis(4-fluorophenyl)methoxy]-1-ethylpiperidine?
The InChIKey is QRVHCUFIYLXCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO/c1-2-23-14-4-3-5-19(23)24-20(15-6-10-17(21)11-7-15)16-8-12-18(22)13-9-16/h6-13,19-20H,2-5,14H2,1H3.
What are the key properties of 2-[bis(4-fluorophenyl)methoxy]-1-ethylpiperidine?
2-[bis(4-fluorophenyl)methoxy]-1-ethylpiperidine has a molecular weight of 331.41 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methoxy]-1-ethylpiperidine is sourced from PubChem (CID 67650104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).