1-[1-[(3,5-difluorophenyl)methoxymethyl]-5,6-difluoro-2,3-dihydroinden-1-yl]piperazine

C21H22F4N2O — CID 11949387

IUPAC1-[1-[(3,5-difluorophenyl)methoxymethyl]-5,6-difluoro-2,3-dihydroinden-1-yl]piperazine
SMILESFc1cc(F)cc(COCC2(N3CCNCC3)CCc3cc(F)c(F)cc32)c1
InChIInChI=1S/C21H22F4N2O/c22-16-7-14(8-17(23)10-16)12-28-13-21(27-5-3-26-4-6-27)2-1-15-9-19(24)20(25)11-18(15)21/h7-11,26H,1-6,12-13H2
InChIKeyMWJLQCKMZLIMLZ-UHFFFAOYSA-N
MW394.41 g/mol
LogP3.51
Rot. Bonds5

About 1-[1-[(3,5-difluorophenyl)methoxymethyl]-5,6-difluoro-2,3-dihydroinden-1-yl]piperazine

1-[1-[(3,5-difluorophenyl)methoxymethyl]-5,6-difluoro-2,3-dihydroinden-1-yl]piperazine (PubChem CID 11949387) has the molecular formula C21H22F4N2O and a molecular weight of 394.41 g/mol. Its IUPAC name is 1-[1-[(3,5-difluorophenyl)methoxymethyl]-5,6-difluoro-2,3-dihydroinden-1-yl]piperazine.

Molecular Properties

Compound Name1-[1-[(3,5-difluorophenyl)methoxymethyl]-5,6-difluoro-2,3-dihydroinden-1-yl]piperazine
PubChem CID11949387
Molecular FormulaC21H22F4N2O
Molecular Weight394.41 g/mol
Exact Mass394.17
IUPAC Name1-[1-[(3,5-difluorophenyl)methoxymethyl]-5,6-difluoro-2,3-dihydroinden-1-yl]piperazine
SMILESFc1cc(F)cc(COCC2(N3CCNCC3)CCc3cc(F)c(F)cc32)c1
InChIInChI=1S/C21H22F4N2O/c22-16-7-14(8-17(23)10-16)12-28-13-21(27-5-3-26-4-6-27)2-1-15-9-19(24)20(25)11-18(15)21/h7-11,26H,1-6,12-13H2
InChIKeyMWJLQCKMZLIMLZ-UHFFFAOYSA-N
XLogP3.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 53.51
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
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(2-methylphenyl)ethyl]piperazine
CID 44358516
1-[1-Phenyl-2-[3,5-bis(trifluoromethyl)benzyloxy]ethyl]piperazine
CID 22353151
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(4-fluorophenyl)ethyl]piperazine
CID 44338510
1-[2-[[3-Fluoro-5-(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazine
CID 44338546
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(2,3-difluorophenyl)ethyl]piperazine
CID 44338583
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(2-fluorophenyl)ethyl]piperazine
CID 44338618
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(3-propan-2-ylphenyl)ethyl]piperazine
CID 44338646
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-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(3-methylphenyl)ethyl]piperazine
CID 44358280
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(3-fluorophenyl)ethyl]piperazine
CID 44358318

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-difluorophenyl)methoxymethyl]-5,6-difluoro-2,3-dihydroinden-1-yl]piperazine?
The IUPAC name of 1-[1-[(3,5-difluorophenyl)methoxymethyl]-5,6-difluoro-2,3-dihydroinden-1-yl]piperazine (CID 11949387) is 1-[1-[(3,5-difluorophenyl)methoxymethyl]-5,6-difluoro-2,3-dihydroinden-1-yl]piperazine.
What is the SMILES notation for 1-[1-[(3,5-difluorophenyl)methoxymethyl]-5,6-difluoro-2,3-dihydroinden-1-yl]piperazine?
The canonical SMILES for 1-[1-[(3,5-difluorophenyl)methoxymethyl]-5,6-difluoro-2,3-dihydroinden-1-yl]piperazine is Fc1cc(F)cc(COCC2(N3CCNCC3)CCc3cc(F)c(F)cc32)c1.
What is the InChIKey of 1-[1-[(3,5-difluorophenyl)methoxymethyl]-5,6-difluoro-2,3-dihydroinden-1-yl]piperazine?
The InChIKey is MWJLQCKMZLIMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F4N2O/c22-16-7-14(8-17(23)10-16)12-28-13-21(27-5-3-26-4-6-27)2-1-15-9-19(24)20(25)11-18(15)21/h7-11,26H,1-6,12-13H2.
What are the key properties of 1-[1-[(3,5-difluorophenyl)methoxymethyl]-5,6-difluoro-2,3-dihydroinden-1-yl]piperazine?
1-[1-[(3,5-difluorophenyl)methoxymethyl]-5,6-difluoro-2,3-dihydroinden-1-yl]piperazine has a molecular weight of 394.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-difluorophenyl)methoxymethyl]-5,6-difluoro-2,3-dihydroinden-1-yl]piperazine is sourced from PubChem (CID 11949387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).