2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole

C24H23N3 — CID 163366166

IUPAC2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole
SMILESc1ccc(N2CCN(c3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)cc1
InChIInChI=1S/C24H23N3/c1-2-7-21(8-3-1)26-14-16-27(17-15-26)22-12-10-19(11-13-22)24-18-20-6-4-5-9-23(20)25-24/h1-13,18,25H,14-17H2
InChIKeyBRPDFLAVSZWJLJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.16
Rot. Bonds3

About 2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole

2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole (PubChem CID 163366166) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole.

Molecular Properties

Compound Name2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole
PubChem CID163366166
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole
SMILESc1ccc(N2CCN(c3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)cc1
InChIInChI=1S/C24H23N3/c1-2-7-21(8-3-1)26-14-16-27(17-15-26)22-12-10-19(11-13-22)24-18-20-6-4-5-9-23(20)25-24/h1-13,18,25H,14-17H2
InChIKeyBRPDFLAVSZWJLJ-UHFFFAOYSA-N
XLogP5.16
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze 2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1H-indol-2-yl)phenol
CID 11287260
4-(4,4-dimethylpiperidin-1-yl)-N-[4-(1H-indol-2-yl)phenyl]sulfanylbenzamide
CID 146324778
1-(4-phenylphenyl)aziridine
CID 152682568
4-(1H-indol-2-yl)benzenethiol;methanol
CID 160504693
4-(1H-indol-2-yl)-N-methylaniline
CID 116995134
2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole
CID 140939131
bis(4,5-dihydro-1H-imidazole);2-phenyl-1H-indole
CID 175419322
ethane;2-[4-(trifluoromethyl)phenyl]-1H-indole
CID 143223648
N-(1H-indol-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 172594297
2,5-bis(1H-indol-2-yl)phenol
CID 67739555
2-(4-pyridin-3-ylphenyl)-1H-indole
CID 91518635
2,7-bis(4-pyrrolidin-1-ylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
CID 139781766

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole?
The IUPAC name of 2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole (CID 163366166) is 2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole.
What is the SMILES notation for 2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole?
The canonical SMILES for 2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole is c1ccc(N2CCN(c3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole?
The InChIKey is BRPDFLAVSZWJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3/c1-2-7-21(8-3-1)26-14-16-27(17-15-26)22-12-10-19(11-13-22)24-18-20-6-4-5-9-23(20)25-24/h1-13,18,25H,14-17H2.
What are the key properties of 2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole?
2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole has a molecular weight of 353.47 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole is sourced from PubChem (CID 163366166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).