2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetonitrile

C23H26FN3 — CID 22038126

IUPAC2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetonitrile
SMILESN#CCc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2
InChIInChI=1S/C23H26FN3/c24-22-4-2-1-3-19(22)8-13-26-14-10-21(11-15-26)27-16-9-20-6-5-18(7-12-25)17-23(20)27/h1-6,17,21H,7-11,13-16H2
InChIKeyXSRYVRXQAJKJRN-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.96
Rot. Bonds5

About 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetonitrile

2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetonitrile (PubChem CID 22038126) has the molecular formula C23H26FN3 and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetonitrile
PubChem CID22038126
Molecular FormulaC23H26FN3
Molecular Weight363.48 g/mol
Exact Mass363.21
IUPAC Name2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetonitrile
SMILESN#CCc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2
InChIInChI=1S/C23H26FN3/c24-22-4-2-1-3-19(22)8-13-26-14-10-21(11-15-26)27-16-9-20-6-5-18(7-12-25)17-23(20)27/h1-6,17,21H,7-11,13-16H2
InChIKeyXSRYVRXQAJKJRN-UHFFFAOYSA-N
XLogP3.96
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole
CID 22038365
1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole
CID 22037972
5-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carbonitrile
CID 22037916
1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole
CID 22038156
1-(1-ethylpiperidin-4-yl)-6-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydroindole
CID 174441483
1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]ethanol
CID 22037899
N-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetamide
CID 22038010
2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide
CID 22038241
1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]oxy]ethanol
CID 22038243
[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyrrol-1-ylmethanone
CID 22037988
N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methylsulfanylperoxy]methanamine
CID 23377505
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6-(1-pyridin-2-ylethyl)-2,3-dihydroindole
CID 22038027

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetonitrile?
The IUPAC name of 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetonitrile (CID 22038126) is 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetonitrile.
What is the SMILES notation for 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetonitrile?
The canonical SMILES for 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetonitrile is N#CCc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2.
What is the InChIKey of 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetonitrile?
The InChIKey is XSRYVRXQAJKJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3/c24-22-4-2-1-3-19(22)8-13-26-14-10-21(11-15-26)27-16-9-20-6-5-18(7-12-25)17-23(20)27/h1-6,17,21H,7-11,13-16H2.
What are the key properties of 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetonitrile?
2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetonitrile has a molecular weight of 363.48 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetonitrile is sourced from PubChem (CID 22038126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).