1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-4-methoxy-2,3-dihydroindole

C22H27FN2O — CID 22038366

IUPAC1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-4-methoxy-2,3-dihydroindole
SMILESCOc1cccc2c1CCN2C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN2O/c1-26-22-4-2-3-21-20(22)12-16-25(21)19-10-14-24(15-11-19)13-9-17-5-7-18(23)8-6-17/h2-8,19H,9-16H2,1H3
InChIKeyWELNZWMZCNRFJA-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.90
Rot. Bonds5

About 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-4-methoxy-2,3-dihydroindole

1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-4-methoxy-2,3-dihydroindole (PubChem CID 22038366) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-4-methoxy-2,3-dihydroindole.

Molecular Properties

Compound Name1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-4-methoxy-2,3-dihydroindole
PubChem CID22038366
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-4-methoxy-2,3-dihydroindole
SMILESCOc1cccc2c1CCN2C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN2O/c1-26-22-4-2-3-21-20(22)12-16-25(21)19-10-14-24(15-11-19)13-9-17-5-7-18(23)8-6-17/h2-8,19H,9-16H2,1H3
InChIKeyWELNZWMZCNRFJA-UHFFFAOYSA-N
XLogP3.90
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole
CID 22038156
1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)sulfanylpiperidine;hydrochloride
CID 141037033
1-(1-ethylpiperidin-4-yl)-4-(4-fluorophenyl)-2,3-dihydroindole
CID 23377433
(R)-(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
CID 25242563
1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole
CID 22037972
N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methylsulfanylperoxy]methanamine
CID 23377505
1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]oxy]ethanol
CID 22038243
1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]ethanol
CID 22037899
[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyrrol-1-ylmethanone
CID 22037988
2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-6-methoxybenzaldehyde
CID 59915472
1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 84589032
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14551556

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-4-methoxy-2,3-dihydroindole?
The IUPAC name of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-4-methoxy-2,3-dihydroindole (CID 22038366) is 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-4-methoxy-2,3-dihydroindole.
What is the SMILES notation for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-4-methoxy-2,3-dihydroindole?
The canonical SMILES for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-4-methoxy-2,3-dihydroindole is COc1cccc2c1CCN2C1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-4-methoxy-2,3-dihydroindole?
The InChIKey is WELNZWMZCNRFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-26-22-4-2-3-21-20(22)12-16-25(21)19-10-14-24(15-11-19)13-9-17-5-7-18(23)8-6-17/h2-8,19H,9-16H2,1H3.
What are the key properties of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-4-methoxy-2,3-dihydroindole?
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-4-methoxy-2,3-dihydroindole has a molecular weight of 354.47 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-4-methoxy-2,3-dihydroindole is sourced from PubChem (CID 22038366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).