1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methylindole

C20H22FN3 — CID 56652456

IUPAC1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methylindole
SMILESCc1cn(CN2CCN(c3ccc(F)cc3)CC2)c2ccccc12
InChIInChI=1S/C20H22FN3/c1-16-14-24(20-5-3-2-4-19(16)20)15-22-10-12-23(13-11-22)18-8-6-17(21)7-9-18/h2-9,14H,10-13,15H2,1H3
InChIKeyNNENXNWOMMFBJE-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.87
Rot. Bonds3

About 1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methylindole

1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methylindole (PubChem CID 56652456) has the molecular formula C20H22FN3 and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methylindole.

Molecular Properties

Compound Name1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methylindole
PubChem CID56652456
Molecular FormulaC20H22FN3
Molecular Weight323.42 g/mol
Exact Mass323.18
IUPAC Name1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methylindole
SMILESCc1cn(CN2CCN(c3ccc(F)cc3)CC2)c2ccccc12
InChIInChI=1S/C20H22FN3/c1-16-14-24(20-5-3-2-4-19(16)20)15-22-10-12-23(13-11-22)18-8-6-17(21)7-9-18/h2-9,14H,10-13,15H2,1H3
InChIKeyNNENXNWOMMFBJE-UHFFFAOYSA-N
XLogP3.87
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.87
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)piperazin-1-yl]methyl]-3-methylindole?
The IUPAC name of 1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methylindole (CID 56652456) is 1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methylindole.
What is the SMILES notation for 1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methylindole?
The canonical SMILES for 1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methylindole is Cc1cn(CN2CCN(c3ccc(F)cc3)CC2)c2ccccc12.
What is the InChIKey of 1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methylindole?
The InChIKey is NNENXNWOMMFBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3/c1-16-14-24(20-5-3-2-4-19(16)20)15-22-10-12-23(13-11-22)18-8-6-17(21)7-9-18/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methylindole?
1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-methylindole has a molecular weight of 323.42 g/mol, XLogP of 3.87, 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)piperazin-1-yl]methyl]-3-methylindole is sourced from PubChem (CID 56652456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).