1-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazine

C19H21FN2 — CID 14208318

IUPAC1-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazine
SMILESFc1ccc(C2CC(N3CCNCC3)c3ccccc32)cc1
InChIInChI=1S/C19H21FN2/c20-15-7-5-14(6-8-15)18-13-19(22-11-9-21-10-12-22)17-4-2-1-3-16(17)18/h1-8,18-19,21H,9-13H2
InChIKeyIEXNAGAJXPUXLE-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.31
Rot. Bonds2

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

1-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazine (PubChem CID 14208318) has the molecular formula C19H21FN2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazine
PubChem CID14208318
Molecular FormulaC19H21FN2
Molecular Weight296.39 g/mol
Exact Mass296.17
IUPAC Name1-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazine
SMILESFc1ccc(C2CC(N3CCNCC3)c3ccccc32)cc1
InChIInChI=1S/C19H21FN2/c20-15-7-5-14(6-8-15)18-13-19(22-11-9-21-10-12-22)17-4-2-1-3-16(17)18/h1-8,18-19,21H,9-13H2
InChIKeyIEXNAGAJXPUXLE-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazine?
The IUPAC name of 1-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazine (CID 14208318) is 1-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazine?
The canonical SMILES for 1-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazine is Fc1ccc(C2CC(N3CCNCC3)c3ccccc32)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazine?
The InChIKey is IEXNAGAJXPUXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2/c20-15-7-5-14(6-8-15)18-13-19(22-11-9-21-10-12-22)17-4-2-1-3-16(17)18/h1-8,18-19,21H,9-13H2.
What are the key properties of 1-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazine?
1-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazine has a molecular weight of 296.39 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazine is sourced from PubChem (CID 14208318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).