4-[7-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine

C22H26F2N2 — CID 10570260

IUPAC4-[7-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine
SMILESCN1CCN(C2CC(c3ccc(F)cc3)c3cccc(F)c32)CC1(C)C
InChIInChI=1S/C22H26F2N2/c1-22(2)14-26(12-11-25(22)3)20-13-18(15-7-9-16(23)10-8-15)17-5-4-6-19(24)21(17)20/h4-10,18,20H,11-14H2,1-3H3
InChIKeyBEBKQEVGPRNSGI-UHFFFAOYSA-N
MW356.46 g/mol
LogP4.57
Rot. Bonds2

About 4-[7-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine

4-[7-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine (PubChem CID 10570260) has the molecular formula C22H26F2N2 and a molecular weight of 356.46 g/mol. Its IUPAC name is 4-[7-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine.

Molecular Properties

Compound Name4-[7-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine
PubChem CID10570260
Molecular FormulaC22H26F2N2
Molecular Weight356.46 g/mol
Exact Mass356.21
IUPAC Name4-[7-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine
SMILESCN1CCN(C2CC(c3ccc(F)cc3)c3cccc(F)c32)CC1(C)C
InChIInChI=1S/C22H26F2N2/c1-22(2)14-26(12-11-25(22)3)20-13-18(15-7-9-16(23)10-8-15)17-5-4-6-19(24)21(17)20/h4-10,18,20H,11-14H2,1-3H3
InChIKeyBEBKQEVGPRNSGI-UHFFFAOYSA-N
XLogP4.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[7-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine?
The IUPAC name of 4-[7-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine (CID 10570260) is 4-[7-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine.
What is the SMILES notation for 4-[7-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine?
The canonical SMILES for 4-[7-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine is CN1CCN(C2CC(c3ccc(F)cc3)c3cccc(F)c32)CC1(C)C.
What is the InChIKey of 4-[7-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine?
The InChIKey is BEBKQEVGPRNSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2/c1-22(2)14-26(12-11-25(22)3)20-13-18(15-7-9-16(23)10-8-15)17-5-4-6-19(24)21(17)20/h4-10,18,20H,11-14H2,1-3H3.
What are the key properties of 4-[7-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine?
4-[7-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine has a molecular weight of 356.46 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine is sourced from PubChem (CID 10570260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).