1-(2,3-dihydro-1H-indol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanol

C20H25N3O — CID 5308534

IUPAC1-(2,3-dihydro-1H-indol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanol
SMILESOC(CN1CCN(c2ccccc2)CC1)c1ccc2c(c1)CCN2
InChIInChI=1S/C20H25N3O/c24-20(17-6-7-19-16(14-17)8-9-21-19)15-22-10-12-23(13-11-22)18-4-2-1-3-5-18/h1-7,14,20-21,24H,8-13,15H2
InChIKeyLGDWODSGZRYTDQ-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.51
Rot. Bonds4

About 1-(2,3-dihydro-1H-indol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanol

1-(2,3-dihydro-1H-indol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanol (PubChem CID 5308534) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanol
PubChem CID5308534
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-(2,3-dihydro-1H-indol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanol
SMILESOC(CN1CCN(c2ccccc2)CC1)c1ccc2c(c1)CCN2
InChIInChI=1S/C20H25N3O/c24-20(17-6-7-19-16(14-17)8-9-21-19)15-22-10-12-23(13-11-22)18-4-2-1-3-5-18/h1-7,14,20-21,24H,8-13,15H2
InChIKeyLGDWODSGZRYTDQ-UHFFFAOYSA-N
XLogP2.51
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanol?
The IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanol (CID 5308534) is 1-(2,3-dihydro-1H-indol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanol is OC(CN1CCN(c2ccccc2)CC1)c1ccc2c(c1)CCN2.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanol?
The InChIKey is LGDWODSGZRYTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c24-20(17-6-7-19-16(14-17)8-9-21-19)15-22-10-12-23(13-11-22)18-4-2-1-3-5-18/h1-7,14,20-21,24H,8-13,15H2.
What are the key properties of 1-(2,3-dihydro-1H-indol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanol?
1-(2,3-dihydro-1H-indol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanol has a molecular weight of 323.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanol is sourced from PubChem (CID 5308534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).