1-(1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol

C20H23N3O — CID 659239

IUPAC1-(1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol
SMILESOC(CN1CCN(c2ccccc2)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H23N3O/c24-20(18-14-21-19-9-5-4-8-17(18)19)15-22-10-12-23(13-11-22)16-6-2-1-3-7-16/h1-9,14,20-21,24H,10-13,15H2
InChIKeyPZKBVQZFRLKVQZ-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.02
Rot. Bonds4

About 1-(1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol

1-(1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol (PubChem CID 659239) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol
PubChem CID659239
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name1-(1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol
SMILESOC(CN1CCN(c2ccccc2)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H23N3O/c24-20(18-14-21-19-9-5-4-8-17(18)19)15-22-10-12-23(13-11-22)16-6-2-1-3-7-16/h1-9,14,20-21,24H,10-13,15H2
InChIKeyPZKBVQZFRLKVQZ-UHFFFAOYSA-N
XLogP3.02
TPSA42.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol?
The IUPAC name of 1-(1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol (CID 659239) is 1-(1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-(1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol is OC(CN1CCN(c2ccccc2)CC1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol?
The InChIKey is PZKBVQZFRLKVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20(18-14-21-19-9-5-4-8-17(18)19)15-22-10-12-23(13-11-22)16-6-2-1-3-7-16/h1-9,14,20-21,24H,10-13,15H2.
What are the key properties of 1-(1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol?
1-(1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol has a molecular weight of 321.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol is sourced from PubChem (CID 659239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).