4-[3-(4-piperazin-1-ylphenyl)-1H-indol-6-yl]phenol

C24H23N3O — CID 57395544

IUPAC4-[3-(4-piperazin-1-ylphenyl)-1H-indol-6-yl]phenol
SMILESOc1ccc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)c[nH]c3c2)cc1
InChIInChI=1S/C24H23N3O/c28-21-8-3-17(4-9-21)19-5-10-22-23(16-26-24(22)15-19)18-1-6-20(7-2-18)27-13-11-25-12-14-27/h1-10,15-16,25-26,28H,11-14H2
InChIKeyKOARITDFMAWYET-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.62
Rot. Bonds3

About 4-[3-(4-piperazin-1-ylphenyl)-1H-indol-6-yl]phenol

4-[3-(4-piperazin-1-ylphenyl)-1H-indol-6-yl]phenol (PubChem CID 57395544) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[3-(4-piperazin-1-ylphenyl)-1H-indol-6-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-piperazin-1-ylphenyl)-1H-indol-6-yl]phenol
PubChem CID57395544
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name4-[3-(4-piperazin-1-ylphenyl)-1H-indol-6-yl]phenol
SMILESOc1ccc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)c[nH]c3c2)cc1
InChIInChI=1S/C24H23N3O/c28-21-8-3-17(4-9-21)19-5-10-22-23(16-26-24(22)15-19)18-1-6-20(7-2-18)27-13-11-25-12-14-27/h1-10,15-16,25-26,28H,11-14H2
InChIKeyKOARITDFMAWYET-UHFFFAOYSA-N
XLogP4.62
TPSA51.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-piperazin-1-ylphenyl)-1H-indol-6-yl]phenol?
The IUPAC name of 4-[3-(4-piperazin-1-ylphenyl)-1H-indol-6-yl]phenol (CID 57395544) is 4-[3-(4-piperazin-1-ylphenyl)-1H-indol-6-yl]phenol.
What is the SMILES notation for 4-[3-(4-piperazin-1-ylphenyl)-1H-indol-6-yl]phenol?
The canonical SMILES for 4-[3-(4-piperazin-1-ylphenyl)-1H-indol-6-yl]phenol is Oc1ccc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)c[nH]c3c2)cc1.
What is the InChIKey of 4-[3-(4-piperazin-1-ylphenyl)-1H-indol-6-yl]phenol?
The InChIKey is KOARITDFMAWYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c28-21-8-3-17(4-9-21)19-5-10-22-23(16-26-24(22)15-19)18-1-6-20(7-2-18)27-13-11-25-12-14-27/h1-10,15-16,25-26,28H,11-14H2.
What are the key properties of 4-[3-(4-piperazin-1-ylphenyl)-1H-indol-6-yl]phenol?
4-[3-(4-piperazin-1-ylphenyl)-1H-indol-6-yl]phenol has a molecular weight of 369.47 g/mol, XLogP of 4.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-piperazin-1-ylphenyl)-1H-indol-6-yl]phenol is sourced from PubChem (CID 57395544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).