1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]indole

C21H24FN3 — CID 56652775

IUPAC1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]indole
SMILESFc1ccccc1N1CCN(CCCn2ccc3ccccc32)CC1
InChIInChI=1S/C21H24FN3/c22-19-7-2-4-9-21(19)25-16-14-23(15-17-25)11-5-12-24-13-10-18-6-1-3-8-20(18)24/h1-4,6-10,13H,5,11-12,14-17H2
InChIKeyOCUNZTRMTHXIHS-UHFFFAOYSA-N
MW337.44 g/mol
LogP3.99
Rot. Bonds5

About 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]indole

1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]indole (PubChem CID 56652775) has the molecular formula C21H24FN3 and a molecular weight of 337.44 g/mol. Its IUPAC name is 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]indole.

Molecular Properties

Compound Name1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]indole
PubChem CID56652775
Molecular FormulaC21H24FN3
Molecular Weight337.44 g/mol
Exact Mass337.20
IUPAC Name1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]indole
SMILESFc1ccccc1N1CCN(CCCn2ccc3ccccc32)CC1
InChIInChI=1S/C21H24FN3/c22-19-7-2-4-9-21(19)25-16-14-23(15-17-25)11-5-12-24-13-10-18-6-1-3-8-20(18)24/h1-4,6-10,13H,5,11-12,14-17H2
InChIKeyOCUNZTRMTHXIHS-UHFFFAOYSA-N
XLogP3.99
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]indole?
The IUPAC name of 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]indole (CID 56652775) is 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]indole.
What is the SMILES notation for 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]indole?
The canonical SMILES for 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]indole is Fc1ccccc1N1CCN(CCCn2ccc3ccccc32)CC1.
What is the InChIKey of 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]indole?
The InChIKey is OCUNZTRMTHXIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3/c22-19-7-2-4-9-21(19)25-16-14-23(15-17-25)11-5-12-24-13-10-18-6-1-3-8-20(18)24/h1-4,6-10,13H,5,11-12,14-17H2.
What are the key properties of 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]indole?
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]indole has a molecular weight of 337.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]indole is sourced from PubChem (CID 56652775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).