1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine

C22H26FNO — CID 134242856

IUPAC1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine
SMILESCC(C1CCc2ccccc21)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C22H26FNO/c1-16(21-11-6-17-4-2-3-5-22(17)21)24-14-12-20(13-15-24)25-19-9-7-18(23)8-10-19/h2-5,7-10,16,20-21H,6,11-15H2,1H3
InChIKeyJAMOXUZBQATMMI-UHFFFAOYSA-N
MW339.45 g/mol
LogP4.79
Rot. Bonds4

About 1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine

1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine (PubChem CID 134242856) has the molecular formula C22H26FNO and a molecular weight of 339.45 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine
PubChem CID134242856
Molecular FormulaC22H26FNO
Molecular Weight339.45 g/mol
Exact Mass339.20
IUPAC Name1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine
SMILESCC(C1CCc2ccccc21)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C22H26FNO/c1-16(21-11-6-17-4-2-3-5-22(17)21)24-14-12-20(13-15-24)25-19-9-7-18(23)8-10-19/h2-5,7-10,16,20-21H,6,11-15H2,1H3
InChIKeyJAMOXUZBQATMMI-UHFFFAOYSA-N
XLogP4.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-3-(4-fluorophenoxy)piperidine;hydrochloride
CID 162488117
1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(4-fluorophenoxy)azepane;hydrochloride
CID 134231651
(2R)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-3-[4-(4-fluorophenoxy)piperidin-1-yl]propan-2-ol
CID 138696420
(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726
1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 23332534
3-(4-fluorophenoxy)-1-propan-2-ylpiperidine
CID 138636971
7-[2-[4-(4-fluorophenoxy)piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 134242981
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 110396913
2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone
CID 134230783
1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396981
(3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58393518
(2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 67530037

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine?
The IUPAC name of 1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine (CID 134242856) is 1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine.
What is the SMILES notation for 1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine?
The canonical SMILES for 1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine is CC(C1CCc2ccccc21)N1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine?
The InChIKey is JAMOXUZBQATMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO/c1-16(21-11-6-17-4-2-3-5-22(17)21)24-14-12-20(13-15-24)25-19-9-7-18(23)8-10-19/h2-5,7-10,16,20-21H,6,11-15H2,1H3.
What are the key properties of 1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine?
1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine has a molecular weight of 339.45 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1H-inden-1-yl)ethyl]-4-(4-fluorophenoxy)piperidine is sourced from PubChem (CID 134242856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).