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

C22H27FN2 — CID 10246528

IUPAC4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine
SMILESCN1CCN(C2CC(c3ccc(F)cc3)c3ccccc32)CC1(C)C
InChIInChI=1S/C22H27FN2/c1-22(2)15-25(13-12-24(22)3)21-14-20(16-8-10-17(23)11-9-16)18-6-4-5-7-19(18)21/h4-11,20-21H,12-15H2,1-3H3
InChIKeyXUGAKTCCCDRKAF-UHFFFAOYSA-N
MW338.47 g/mol
LogP4.43
Rot. Bonds2

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

4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine (PubChem CID 10246528) has the molecular formula C22H27FN2 and a molecular weight of 338.47 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine
PubChem CID10246528
Molecular FormulaC22H27FN2
Molecular Weight338.47 g/mol
Exact Mass338.22
IUPAC Name4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine
SMILESCN1CCN(C2CC(c3ccc(F)cc3)c3ccccc32)CC1(C)C
InChIInChI=1S/C22H27FN2/c1-22(2)15-25(13-12-24(22)3)21-14-20(16-8-10-17(23)11-9-16)18-6-4-5-7-19(18)21/h4-11,20-21H,12-15H2,1-3H3
InChIKeyXUGAKTCCCDRKAF-UHFFFAOYSA-N
XLogP4.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine?
The IUPAC name of 4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine (CID 10246528) is 4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine is CN1CCN(C2CC(c3ccc(F)cc3)c3ccccc32)CC1(C)C.
What is the InChIKey of 4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine?
The InChIKey is XUGAKTCCCDRKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2/c1-22(2)15-25(13-12-24(22)3)21-14-20(16-8-10-17(23)11-9-16)18-6-4-5-7-19(18)21/h4-11,20-21H,12-15H2,1-3H3.
What are the key properties of 4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine?
4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine has a molecular weight of 338.47 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine is sourced from PubChem (CID 10246528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).