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

C20H22F2N2 — CID 13154762

IUPAC1-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine
SMILESCN1CCN(C2CC(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
InChIKeyBOFPIRRSGDHUCZ-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.79
Rot. Bonds2

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

1-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine (PubChem CID 13154762) has the molecular formula C20H22F2N2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine
PubChem CID13154762
Molecular FormulaC20H22F2N2
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine
SMILESCN1CCN(C2CC(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
InChIKeyBOFPIRRSGDHUCZ-UHFFFAOYSA-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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Related Compounds

Tefludazine
CID 71240
Dimefadane
CID 21760
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (-)-
CID 3065151
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (+)-
CID 3065150
4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10522247
4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10809333
9-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-6-methyl-6,9-diaza-spiro[4.5]decane
CID 10810927
8-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-5-methyl-5,8-diaza-spiro[3.5]nonane
CID 11794473
4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1-isopropyl-2,2-dimethyl-piperazine
CID 11795296
2-{4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-piperazin-1-yl}-ethanol
CID 10320519
4-[4-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 9864292
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-phenyl-1-propyl-, (4a-alpha,5-alpha,9b-alpha)-
CID 55875

Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine?
The IUPAC name of 1-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine (CID 13154762) is 1-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine?
The canonical SMILES for 1-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine is CN1CCN(C2CC(c3ccc(F)cc3)c3ccc(F)cc32)CC1.
What is the InChIKey of 1-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine?
The InChIKey is BOFPIRRSGDHUCZ-UHFFFAOYSA-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.
What are the key properties of 1-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine?
1-[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-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine is sourced from PubChem (CID 13154762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).