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

C19H20FN3 — CID 2812866

IUPAC3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-indole
SMILESFc1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C19H20FN3/c20-16-5-7-17(8-6-16)23-11-9-22(10-12-23)14-15-13-21-19-4-2-1-3-18(15)19/h1-8,13,21H,9-12,14H2
InChIKeyPCLWAFVRAWUFRN-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.63
Rot. Bonds3

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

3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-indole (PubChem CID 2812866) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-indole
PubChem CID2812866
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-indole
SMILESFc1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C19H20FN3/c20-16-5-7-17(8-6-16)23-11-9-22(10-12-23)14-15-13-21-19-4-2-1-3-18(15)19/h1-8,13,21H,9-12,14H2
InChIKeyPCLWAFVRAWUFRN-UHFFFAOYSA-N
XLogP3.63
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-indole?
The IUPAC name of 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-indole (CID 2812866) is 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-indole?
The canonical SMILES for 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-indole is Fc1ccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-indole?
The InChIKey is PCLWAFVRAWUFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c20-16-5-7-17(8-6-16)23-11-9-22(10-12-23)14-15-13-21-19-4-2-1-3-18(15)19/h1-8,13,21H,9-12,14H2.
What are the key properties of 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-indole?
3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-indole has a molecular weight of 309.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 2812866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).