1-[(4-fluorophenyl)methyl]-4-piperazin-1-ylindole

C19H20FN3 — CID 123546068

IUPAC1-[(4-fluorophenyl)methyl]-4-piperazin-1-ylindole
SMILESFc1ccc(Cn2ccc3c(N4CCNCC4)cccc32)cc1
InChIInChI=1S/C19H20FN3/c20-16-6-4-15(5-7-16)14-23-11-8-17-18(2-1-3-19(17)23)22-12-9-21-10-13-22/h1-8,11,21H,9-10,12-14H2
InChIKeyVPSDPJZSKRWBPR-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.24
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-4-piperazin-1-ylindole

1-[(4-fluorophenyl)methyl]-4-piperazin-1-ylindole (PubChem CID 123546068) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-piperazin-1-ylindole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-piperazin-1-ylindole
PubChem CID123546068
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name1-[(4-fluorophenyl)methyl]-4-piperazin-1-ylindole
SMILESFc1ccc(Cn2ccc3c(N4CCNCC4)cccc32)cc1
InChIInChI=1S/C19H20FN3/c20-16-6-4-15(5-7-16)14-23-11-8-17-18(2-1-3-19(17)23)22-12-9-21-10-13-22/h1-8,11,21H,9-10,12-14H2
InChIKeyVPSDPJZSKRWBPR-UHFFFAOYSA-N
XLogP3.24
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-piperazin-1-ylindole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-piperazin-1-ylindole (CID 123546068) is 1-[(4-fluorophenyl)methyl]-4-piperazin-1-ylindole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-piperazin-1-ylindole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-piperazin-1-ylindole is Fc1ccc(Cn2ccc3c(N4CCNCC4)cccc32)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-piperazin-1-ylindole?
The InChIKey is VPSDPJZSKRWBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c20-16-6-4-15(5-7-16)14-23-11-8-17-18(2-1-3-19(17)23)22-12-9-21-10-13-22/h1-8,11,21H,9-10,12-14H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-piperazin-1-ylindole?
1-[(4-fluorophenyl)methyl]-4-piperazin-1-ylindole has a molecular weight of 309.39 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-piperazin-1-ylindole is sourced from PubChem (CID 123546068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).