1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole

C21H24F2N2 — CID 22037972

IUPAC1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole
SMILESFc1cc(F)cc(CCN2CCC(N3CCc4ccccc43)CC2)c1
InChIInChI=1S/C21H24F2N2/c22-18-13-16(14-19(23)15-18)5-9-24-10-7-20(8-11-24)25-12-6-17-3-1-2-4-21(17)25/h1-4,13-15,20H,5-12H2
InChIKeyBFIOGXCQSJTCFN-UHFFFAOYSA-N
MW342.43 g/mol
LogP4.03
Rot. Bonds4

About 1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole

1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole (PubChem CID 22037972) has the molecular formula C21H24F2N2 and a molecular weight of 342.43 g/mol. Its IUPAC name is 1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole
PubChem CID22037972
Molecular FormulaC21H24F2N2
Molecular Weight342.43 g/mol
Exact Mass342.19
IUPAC Name1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole
SMILESFc1cc(F)cc(CCN2CCC(N3CCc4ccccc43)CC2)c1
InChIInChI=1S/C21H24F2N2/c22-18-13-16(14-19(23)15-18)5-9-24-10-7-20(8-11-24)25-12-6-17-3-1-2-4-21(17)25/h1-4,13-15,20H,5-12H2
InChIKeyBFIOGXCQSJTCFN-UHFFFAOYSA-N
XLogP4.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole
CID 22038365
2-[3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]phenoxy]ethanol
CID 22038273
[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyrrol-1-ylmethanone
CID 22037988
5-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carbonitrile
CID 22037916
ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium
CID 161158486
2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetonitrile
CID 22038126
1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]ethanol
CID 22037899
1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole
CID 22038156
[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyridin-2-ylmethanol
CID 22037901
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6-(1-pyridin-2-ylethyl)-2,3-dihydroindole
CID 22038027
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]-4-methoxy-2,3-dihydroindole
CID 22038366

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole?
The IUPAC name of 1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole (CID 22037972) is 1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole.
What is the SMILES notation for 1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole?
The canonical SMILES for 1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole is Fc1cc(F)cc(CCN2CCC(N3CCc4ccccc43)CC2)c1.
What is the InChIKey of 1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole?
The InChIKey is BFIOGXCQSJTCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2/c22-18-13-16(14-19(23)15-18)5-9-24-10-7-20(8-11-24)25-12-6-17-3-1-2-4-21(17)25/h1-4,13-15,20H,5-12H2.
What are the key properties of 1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole?
1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole has a molecular weight of 342.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole is sourced from PubChem (CID 22037972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).