1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol

C20H24FN3O — CID 20866266

IUPAC1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
SMILESOC(CN1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)CCN2
InChIInChI=1S/C20H24FN3O/c21-17-2-4-18(5-3-17)24-11-9-23(10-12-24)14-20(25)16-1-6-19-15(13-16)7-8-22-19/h1-6,13,20,22,25H,7-12,14H2
InChIKeyRTRRAZIRMXZDAX-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.65
Rot. Bonds4

About 1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol

1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol (PubChem CID 20866266) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
PubChem CID20866266
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
SMILESOC(CN1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)CCN2
InChIInChI=1S/C20H24FN3O/c21-17-2-4-18(5-3-17)24-11-9-23(10-12-24)14-20(25)16-1-6-19-15(13-16)7-8-22-19/h1-6,13,20,22,25H,7-12,14H2
InChIKeyRTRRAZIRMXZDAX-UHFFFAOYSA-N
XLogP2.65
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.65
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-(4-fluorophenyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol (CID 20866266) is 1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol is OC(CN1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)CCN2.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol?
The InChIKey is RTRRAZIRMXZDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-17-2-4-18(5-3-17)24-11-9-23(10-12-24)14-20(25)16-1-6-19-15(13-16)7-8-22-19/h1-6,13,20,22,25H,7-12,14H2.
What are the key properties of 1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol?
1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol has a molecular weight of 341.43 g/mol, XLogP of 2.65, 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-(4-fluorophenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 20866266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).