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

C23H29FN2 — CID 10641744

IUPAC4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine
SMILESCc1ccc2c(c1)C(N1CCN(C)C(C)(C)C1)CC2c1ccc(F)cc1
InChIInChI=1S/C23H29FN2/c1-16-5-10-19-20(17-6-8-18(24)9-7-17)14-22(21(19)13-16)26-12-11-25(4)23(2,3)15-26/h5-10,13,20,22H,11-12,14-15H2,1-4H3
InChIKeyQMRDYJDBHVLYNI-UHFFFAOYSA-N
MW352.50 g/mol
LogP4.74
Rot. Bonds2

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

4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine (PubChem CID 10641744) has the molecular formula C23H29FN2 and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine
PubChem CID10641744
Molecular FormulaC23H29FN2
Molecular Weight352.50 g/mol
Exact Mass352.23
IUPAC Name4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine
SMILESCc1ccc2c(c1)C(N1CCN(C)C(C)(C)C1)CC2c1ccc(F)cc1
InChIInChI=1S/C23H29FN2/c1-16-5-10-19-20(17-6-8-18(24)9-7-17)14-22(21(19)13-16)26-12-11-25(4)23(2,3)15-26/h5-10,13,20,22H,11-12,14-15H2,1-4H3
InChIKeyQMRDYJDBHVLYNI-UHFFFAOYSA-N
XLogP4.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 54.74
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
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
1-(9H-Fluoren-9-yl)piperazine
CID 410205
2-{4-[3-(4-Fluoro-phenyl)-indan-1-yl]-piperazin-1-yl}-ethanol
CID 13154791

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine?
The IUPAC name of 4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine (CID 10641744) is 4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine is Cc1ccc2c(c1)C(N1CCN(C)C(C)(C)C1)CC2c1ccc(F)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine?
The InChIKey is QMRDYJDBHVLYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2/c1-16-5-10-19-20(17-6-8-18(24)9-7-17)14-22(21(19)13-16)26-12-11-25(4)23(2,3)15-26/h5-10,13,20,22H,11-12,14-15H2,1-4H3.
What are the key properties of 4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine?
4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine has a molecular weight of 352.50 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine is sourced from PubChem (CID 10641744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).