1-[2-[(3,5-difluorophenyl)methoxymethyl]-1,3-dihydroinden-2-yl]piperazine

C21H24F2N2O — CID 23147722

IUPAC1-[2-[(3,5-difluorophenyl)methoxymethyl]-1,3-dihydroinden-2-yl]piperazine
SMILESFc1cc(F)cc(COCC2(N3CCNCC3)Cc3ccccc3C2)c1
InChIInChI=1S/C21H24F2N2O/c22-19-9-16(10-20(23)11-19)14-26-15-21(25-7-5-24-6-8-25)12-17-3-1-2-4-18(17)13-21/h1-4,9-11,24H,5-8,12-15H2
InChIKeyZKDHHSBKRIZKQA-UHFFFAOYSA-N
MW358.43 g/mol
LogP2.92
Rot. Bonds5

About 1-[2-[(3,5-difluorophenyl)methoxymethyl]-1,3-dihydroinden-2-yl]piperazine

1-[2-[(3,5-difluorophenyl)methoxymethyl]-1,3-dihydroinden-2-yl]piperazine (PubChem CID 23147722) has the molecular formula C21H24F2N2O and a molecular weight of 358.43 g/mol. Its IUPAC name is 1-[2-[(3,5-difluorophenyl)methoxymethyl]-1,3-dihydroinden-2-yl]piperazine.

Molecular Properties

Compound Name1-[2-[(3,5-difluorophenyl)methoxymethyl]-1,3-dihydroinden-2-yl]piperazine
PubChem CID23147722
Molecular FormulaC21H24F2N2O
Molecular Weight358.43 g/mol
Exact Mass358.19
IUPAC Name1-[2-[(3,5-difluorophenyl)methoxymethyl]-1,3-dihydroinden-2-yl]piperazine
SMILESFc1cc(F)cc(COCC2(N3CCNCC3)Cc3ccccc3C2)c1
InChIInChI=1S/C21H24F2N2O/c22-19-9-16(10-20(23)11-19)14-26-15-21(25-7-5-24-6-8-25)12-17-3-1-2-4-18(17)13-21/h1-4,9-11,24H,5-8,12-15H2
InChIKeyZKDHHSBKRIZKQA-UHFFFAOYSA-N
XLogP2.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3,5-Difluorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338530
(2S,5R)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-2,5-dimethyl-piperazine
CID 10498740
1-[1-[3,4-Bis(ethenyl)phenyl]-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]piperazine
CID 44358248
1-[1-[2,3-Bis(ethenyl)phenyl]-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]piperazine
CID 44358249
1-[2-[[2,4-Bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazine
CID 44358597
1-[1-[(3,5-Difluorophenyl)methoxymethyl]-2,3-dihydroinden-1-yl]piperazine
CID 11949384
1-[1-[(3,5-Difluorophenyl)methoxymethyl]-5,6-difluoro-2,3-dihydroinden-1-yl]piperazine
CID 11949387
1-[(1S,2R)-2-[(3,5-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]piperazine
CID 11955103
3-(2,3-dihydro-1H-inden-5-ylmethoxy)-4-(4-fluorophenyl)piperidine
CID 22127415
2-amino-N-[(2R)-3-[(2,6-difluorophenyl)methoxy]-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide
CID 22867278
1-[1-[(3-Bromo-5-fluorophenyl)methoxymethyl]-2,3-dihydroinden-1-yl]piperazine
CID 23147670
1-[1-[[3-(Trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine
CID 23147688

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-difluorophenyl)methoxymethyl]-1,3-dihydroinden-2-yl]piperazine?
The IUPAC name of 1-[2-[(3,5-difluorophenyl)methoxymethyl]-1,3-dihydroinden-2-yl]piperazine (CID 23147722) is 1-[2-[(3,5-difluorophenyl)methoxymethyl]-1,3-dihydroinden-2-yl]piperazine.
What is the SMILES notation for 1-[2-[(3,5-difluorophenyl)methoxymethyl]-1,3-dihydroinden-2-yl]piperazine?
The canonical SMILES for 1-[2-[(3,5-difluorophenyl)methoxymethyl]-1,3-dihydroinden-2-yl]piperazine is Fc1cc(F)cc(COCC2(N3CCNCC3)Cc3ccccc3C2)c1.
What is the InChIKey of 1-[2-[(3,5-difluorophenyl)methoxymethyl]-1,3-dihydroinden-2-yl]piperazine?
The InChIKey is ZKDHHSBKRIZKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O/c22-19-9-16(10-20(23)11-19)14-26-15-21(25-7-5-24-6-8-25)12-17-3-1-2-4-18(17)13-21/h1-4,9-11,24H,5-8,12-15H2.
What are the key properties of 1-[2-[(3,5-difluorophenyl)methoxymethyl]-1,3-dihydroinden-2-yl]piperazine?
1-[2-[(3,5-difluorophenyl)methoxymethyl]-1,3-dihydroinden-2-yl]piperazine has a molecular weight of 358.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-difluorophenyl)methoxymethyl]-1,3-dihydroinden-2-yl]piperazine is sourced from PubChem (CID 23147722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).