3-[2-[4-(3-phenylphenyl)piperazin-1-yl]ethyl]-1H-indol-5-ol

C26H27N3O — CID 90676384

IUPAC3-[2-[4-(3-phenylphenyl)piperazin-1-yl]ethyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(CCN3CCN(c4cccc(-c5ccccc5)c4)CC3)c2c1
InChIInChI=1S/C26H27N3O/c30-24-9-10-26-25(18-24)22(19-27-26)11-12-28-13-15-29(16-14-28)23-8-4-7-21(17-23)20-5-2-1-3-6-20/h1-10,17-19,27,30H,11-16H2
InChIKeyJPTGKLJJHRRXQF-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.91
Rot. Bonds5

About 3-[2-[4-(3-phenylphenyl)piperazin-1-yl]ethyl]-1H-indol-5-ol

3-[2-[4-(3-phenylphenyl)piperazin-1-yl]ethyl]-1H-indol-5-ol (PubChem CID 90676384) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-[2-[4-(3-phenylphenyl)piperazin-1-yl]ethyl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[2-[4-(3-phenylphenyl)piperazin-1-yl]ethyl]-1H-indol-5-ol
PubChem CID90676384
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name3-[2-[4-(3-phenylphenyl)piperazin-1-yl]ethyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(CCN3CCN(c4cccc(-c5ccccc5)c4)CC3)c2c1
InChIInChI=1S/C26H27N3O/c30-24-9-10-26-25(18-24)22(19-27-26)11-12-28-13-15-29(16-14-28)23-8-4-7-21(17-23)20-5-2-1-3-6-20/h1-10,17-19,27,30H,11-16H2
InChIKeyJPTGKLJJHRRXQF-UHFFFAOYSA-N
XLogP4.91
TPSA42.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-phenylphenyl)piperazin-1-yl]ethyl]-1H-indol-5-ol?
The IUPAC name of 3-[2-[4-(3-phenylphenyl)piperazin-1-yl]ethyl]-1H-indol-5-ol (CID 90676384) is 3-[2-[4-(3-phenylphenyl)piperazin-1-yl]ethyl]-1H-indol-5-ol.
What is the SMILES notation for 3-[2-[4-(3-phenylphenyl)piperazin-1-yl]ethyl]-1H-indol-5-ol?
The canonical SMILES for 3-[2-[4-(3-phenylphenyl)piperazin-1-yl]ethyl]-1H-indol-5-ol is Oc1ccc2[nH]cc(CCN3CCN(c4cccc(-c5ccccc5)c4)CC3)c2c1.
What is the InChIKey of 3-[2-[4-(3-phenylphenyl)piperazin-1-yl]ethyl]-1H-indol-5-ol?
The InChIKey is JPTGKLJJHRRXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c30-24-9-10-26-25(18-24)22(19-27-26)11-12-28-13-15-29(16-14-28)23-8-4-7-21(17-23)20-5-2-1-3-6-20/h1-10,17-19,27,30H,11-16H2.
What are the key properties of 3-[2-[4-(3-phenylphenyl)piperazin-1-yl]ethyl]-1H-indol-5-ol?
3-[2-[4-(3-phenylphenyl)piperazin-1-yl]ethyl]-1H-indol-5-ol has a molecular weight of 397.52 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-phenylphenyl)piperazin-1-yl]ethyl]-1H-indol-5-ol is sourced from PubChem (CID 90676384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).