3-ethyl-1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;fluorobenzene

C23H31FN2 — CID 174404800

IUPAC3-ethyl-1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;fluorobenzene
SMILESCCC1CN(C2CCN(CC)CC2)c2ccccc21.Fc1ccccc1
InChIInChI=1S/C17H26N2.C6H5F/c1-3-14-13-19(17-8-6-5-7-16(14)17)15-9-11-18(4-2)12-10-15;7-6-4-2-1-3-5-6/h5-8,14-15H,3-4,9-13H2,1-2H3;1-5H
InChIKeyHBUUTHPYQIDVAE-UHFFFAOYSA-N
MW354.51 g/mol
LogP5.31
Rot. Bonds3

About 3-ethyl-1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;fluorobenzene

3-ethyl-1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;fluorobenzene (PubChem CID 174404800) has the molecular formula C23H31FN2 and a molecular weight of 354.51 g/mol. Its IUPAC name is 3-ethyl-1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;fluorobenzene.

Molecular Properties

Compound Name3-ethyl-1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;fluorobenzene
PubChem CID174404800
Molecular FormulaC23H31FN2
Molecular Weight354.51 g/mol
Exact Mass354.25
IUPAC Name3-ethyl-1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;fluorobenzene
SMILESCCC1CN(C2CCN(CC)CC2)c2ccccc21.Fc1ccccc1
InChIInChI=1S/C17H26N2.C6H5F/c1-3-14-13-19(17-8-6-5-7-16(14)17)15-9-11-18(4-2)12-10-15;7-6-4-2-1-3-5-6/h5-8,14-15H,3-4,9-13H2,1-2H3;1-5H
InChIKeyHBUUTHPYQIDVAE-UHFFFAOYSA-N
XLogP5.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.51
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-2,3-dihydroindole
CID 22038360
1-(1-ethylpiperidin-4-yl)-3-(4-fluorophenyl)-2,3-dihydroindole
CID 22037956
3-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole;fluorobenzene
CID 174420428
ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium
CID 161158486
1-(1-ethylpiperidin-4-yl)-4-(4-fluorophenyl)-2,3-dihydroindole
CID 23377433
2,4-diethyl-3,4-dihydro-1H-isoquinoline
CID 56971515
1,4-diethyl-3,4-dihydro-2H-quinoline
CID 90169118
3-ethyl-2,3-dihydro-1H-indole;fluorobenzene
CID 174405299
anisole;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole
CID 174390999
2-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-(methylamino)acetaldehyde;fluorobenzene
CID 174405792
6-bromo-1-(1-ethylpiperidin-4-yl)indole;fluorobenzene
CID 174406015
1-(1-ethylpiperidin-4-yl)-3H-indol-2-one
CID 71199047

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;fluorobenzene?
The IUPAC name of 3-ethyl-1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;fluorobenzene (CID 174404800) is 3-ethyl-1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;fluorobenzene.
What is the SMILES notation for 3-ethyl-1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;fluorobenzene?
The canonical SMILES for 3-ethyl-1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;fluorobenzene is CCC1CN(C2CCN(CC)CC2)c2ccccc21.Fc1ccccc1.
What is the InChIKey of 3-ethyl-1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;fluorobenzene?
The InChIKey is HBUUTHPYQIDVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2.C6H5F/c1-3-14-13-19(17-8-6-5-7-16(14)17)15-9-11-18(4-2)12-10-15;7-6-4-2-1-3-5-6/h5-8,14-15H,3-4,9-13H2,1-2H3;1-5H.
What are the key properties of 3-ethyl-1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;fluorobenzene?
3-ethyl-1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;fluorobenzene has a molecular weight of 354.51 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;fluorobenzene is sourced from PubChem (CID 174404800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).