1-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine

C20H22F2N2 — CID 22826279

IUPAC1-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine
SMILESCN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1
InChIInChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3/t18-,20+/m1/s1
InChIKeyBOFPIRRSGDHUCZ-QUCCMNQESA-N
MW328.41 g/mol
LogP3.79
Rot. Bonds2

About 1-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine

1-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine (PubChem CID 22826279) has the molecular formula C20H22F2N2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine
PubChem CID22826279
Molecular FormulaC20H22F2N2
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine
SMILESCN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1
InChIInChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3/t18-,20+/m1/s1
InChIKeyBOFPIRRSGDHUCZ-QUCCMNQESA-N
XLogP3.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine?
The IUPAC name of 1-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine (CID 22826279) is 1-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine?
The canonical SMILES for 1-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine is CN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1.
What is the InChIKey of 1-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine?
The InChIKey is BOFPIRRSGDHUCZ-QUCCMNQESA-N. The full InChI is InChI=1S/C20H22F2N2/c1-23-8-10-24(11-9-23)20-13-18(14-2-4-15(21)5-3-14)17-7-6-16(22)12-19(17)20/h2-7,12,18,20H,8-11,13H2,1H3/t18-,20+/m1/s1.
What are the key properties of 1-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine?
1-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine has a molecular weight of 328.41 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine is sourced from PubChem (CID 22826279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).