1-[2-[(3,5-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]piperazine

C20H22F2N2O — CID 23149263

IUPAC1-[2-[(3,5-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]piperazine
SMILESFc1cc(F)cc(COC2Cc3ccccc3C2N2CCNCC2)c1
InChIInChI=1S/C20H22F2N2O/c21-16-9-14(10-17(22)12-16)13-25-19-11-15-3-1-2-4-18(15)20(19)24-7-5-23-6-8-24/h1-4,9-10,12,19-20,23H,5-8,11,13H2
InChIKeyKISPQNPCNXAKJD-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.05
Rot. Bonds4

About 1-[2-[(3,5-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]piperazine

1-[2-[(3,5-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]piperazine (PubChem CID 23149263) has the molecular formula C20H22F2N2O and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[2-[(3,5-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]piperazine.

Molecular Properties

Compound Name1-[2-[(3,5-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]piperazine
PubChem CID23149263
Molecular FormulaC20H22F2N2O
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-[2-[(3,5-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]piperazine
SMILESFc1cc(F)cc(COC2Cc3ccccc3C2N2CCNCC2)c1
InChIInChI=1S/C20H22F2N2O/c21-16-9-14(10-17(22)12-16)13-25-19-11-15-3-1-2-4-18(15)20(19)24-7-5-23-6-8-24/h1-4,9-10,12,19-20,23H,5-8,11,13H2
InChIKeyKISPQNPCNXAKJD-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.05
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-[2,3-Bis(ethenyl)phenyl]-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]piperazine
CID 44358249
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
1-[1-[[3-(Trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine
CID 23147688
1-[2-[1-(3,5-Difluorophenyl)ethoxymethyl]-1,3-dihydroinden-2-yl]piperazine
CID 23147719
1-[2-[(3,5-Difluorophenyl)methoxymethyl]-1,3-dihydroinden-2-yl]piperazine
CID 23147722
1-[2-[[3-Fluoro-5-(trifluoromethyl)phenyl]methoxymethyl]-1,3-dihydroinden-2-yl]piperazine
CID 23147739
1-[1-[[3-Fluoro-5-(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine
CID 23147807
1-[1-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-2,3-dihydroinden-1-yl]piperazine
CID 23147827

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]piperazine?
The IUPAC name of 1-[2-[(3,5-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]piperazine (CID 23149263) is 1-[2-[(3,5-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]piperazine.
What is the SMILES notation for 1-[2-[(3,5-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]piperazine?
The canonical SMILES for 1-[2-[(3,5-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]piperazine is Fc1cc(F)cc(COC2Cc3ccccc3C2N2CCNCC2)c1.
What is the InChIKey of 1-[2-[(3,5-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]piperazine?
The InChIKey is KISPQNPCNXAKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O/c21-16-9-14(10-17(22)12-16)13-25-19-11-15-3-1-2-4-18(15)20(19)24-7-5-23-6-8-24/h1-4,9-10,12,19-20,23H,5-8,11,13H2.
What are the key properties of 1-[2-[(3,5-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]piperazine?
1-[2-[(3,5-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]piperazine has a molecular weight of 344.41 g/mol, XLogP of 3.05, 4 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)methoxy]-2,3-dihydro-1H-inden-1-yl]piperazine is sourced from PubChem (CID 23149263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).