3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1H-indole

C21H28FN3 — CID 21258053

IUPAC3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1H-indole
SMILESFc1ccc(N2CCN(CCCc3c[nH]c4c3CCCC4)CC2)cc1
InChIInChI=1S/C21H28FN3/c22-18-7-9-19(10-8-18)25-14-12-24(13-15-25)11-3-4-17-16-23-21-6-2-1-5-20(17)21/h7-10,16,23H,1-6,11-15H2
InChIKeyJMQOPGOUHDTDCA-UHFFFAOYSA-N
MW341.47 g/mol
LogP3.79
Rot. Bonds5

About 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1H-indole

3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1H-indole (PubChem CID 21258053) has the molecular formula C21H28FN3 and a molecular weight of 341.47 g/mol. Its IUPAC name is 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1H-indole.

Molecular Properties

Compound Name3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1H-indole
PubChem CID21258053
Molecular FormulaC21H28FN3
Molecular Weight341.47 g/mol
Exact Mass341.23
IUPAC Name3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1H-indole
SMILESFc1ccc(N2CCN(CCCc3c[nH]c4c3CCCC4)CC2)cc1
InChIInChI=1S/C21H28FN3/c22-18-7-9-19(10-8-18)25-14-12-24(13-15-25)11-3-4-17-16-23-21-6-2-1-5-20(17)21/h7-10,16,23H,1-6,11-15H2
InChIKeyJMQOPGOUHDTDCA-UHFFFAOYSA-N
XLogP3.79
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1H-indole?
The IUPAC name of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1H-indole (CID 21258053) is 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1H-indole.
What is the SMILES notation for 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1H-indole?
The canonical SMILES for 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1H-indole is Fc1ccc(N2CCN(CCCc3c[nH]c4c3CCCC4)CC2)cc1.
What is the InChIKey of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1H-indole?
The InChIKey is JMQOPGOUHDTDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3/c22-18-7-9-19(10-8-18)25-14-12-24(13-15-25)11-3-4-17-16-23-21-6-2-1-5-20(17)21/h7-10,16,23H,1-6,11-15H2.
What are the key properties of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1H-indole?
3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1H-indole has a molecular weight of 341.47 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1H-indole is sourced from PubChem (CID 21258053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).