1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2,3-dihydroindole

C19H22FN3 — CID 141012844

IUPAC1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2,3-dihydroindole
SMILESFc1ccc(CN2CCN(N3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C19H22FN3/c20-18-7-5-16(6-8-18)15-21-11-13-22(14-12-21)23-10-9-17-3-1-2-4-19(17)23/h1-8H,9-15H2
InChIKeyGSKWXGISBDBVHW-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.92
Rot. Bonds3

About 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2,3-dihydroindole

1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2,3-dihydroindole (PubChem CID 141012844) has the molecular formula C19H22FN3 and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2,3-dihydroindole
PubChem CID141012844
Molecular FormulaC19H22FN3
Molecular Weight311.40 g/mol
Exact Mass311.18
IUPAC Name1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2,3-dihydroindole
SMILESFc1ccc(CN2CCN(N3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C19H22FN3/c20-18-7-5-16(6-8-18)15-21-11-13-22(14-12-21)23-10-9-17-3-1-2-4-19(17)23/h1-8H,9-15H2
InChIKeyGSKWXGISBDBVHW-UHFFFAOYSA-N
XLogP2.92
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2,3-dihydroindole?
The IUPAC name of 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2,3-dihydroindole (CID 141012844) is 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2,3-dihydroindole.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2,3-dihydroindole?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2,3-dihydroindole is Fc1ccc(CN2CCN(N3CCc4ccccc43)CC2)cc1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2,3-dihydroindole?
The InChIKey is GSKWXGISBDBVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3/c20-18-7-5-16(6-8-18)15-21-11-13-22(14-12-21)23-10-9-17-3-1-2-4-19(17)23/h1-8H,9-15H2.
What are the key properties of 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2,3-dihydroindole?
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2,3-dihydroindole has a molecular weight of 311.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2,3-dihydroindole is sourced from PubChem (CID 141012844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).