1-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(4-fluorophenyl)piperazine

C21H25FN2 — CID 3038682

IUPAC1-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(4-fluorophenyl)piperazine
SMILESFc1ccc(N2CCN(CCc3ccc4c(c3)CCC4)CC2)cc1
InChIInChI=1S/C21H25FN2/c22-20-6-8-21(9-7-20)24-14-12-23(13-15-24)11-10-17-4-5-18-2-1-3-19(18)16-17/h4-9,16H,1-3,10-15H2
InChIKeyBNACQPPUEAMOAX-UHFFFAOYSA-N
MW324.44 g/mol
LogP3.68
Rot. Bonds4

About 1-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(4-fluorophenyl)piperazine

1-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(4-fluorophenyl)piperazine (PubChem CID 3038682) has the molecular formula C21H25FN2 and a molecular weight of 324.44 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(4-fluorophenyl)piperazine
PubChem CID3038682
Molecular FormulaC21H25FN2
Molecular Weight324.44 g/mol
Exact Mass324.20
IUPAC Name1-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(4-fluorophenyl)piperazine
SMILESFc1ccc(N2CCN(CCc3ccc4c(c3)CCC4)CC2)cc1
InChIInChI=1S/C21H25FN2/c22-20-6-8-21(9-7-20)24-14-12-23(13-15-24)11-10-17-4-5-18-2-1-3-19(18)16-17/h4-9,16H,1-3,10-15H2
InChIKeyBNACQPPUEAMOAX-UHFFFAOYSA-N
XLogP3.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(4-fluorophenyl)piperazine (CID 3038682) is 1-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(4-fluorophenyl)piperazine is Fc1ccc(N2CCN(CCc3ccc4c(c3)CCC4)CC2)cc1.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(4-fluorophenyl)piperazine?
The InChIKey is BNACQPPUEAMOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2/c22-20-6-8-21(9-7-20)24-14-12-23(13-15-24)11-10-17-4-5-18-2-1-3-19(18)16-17/h4-9,16H,1-3,10-15H2.
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(4-fluorophenyl)piperazine?
1-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(4-fluorophenyl)piperazine has a molecular weight of 324.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 3038682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).