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

C20H22FN3O — CID 20866315

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-5-yl)ethanol
SMILESOC(CN1CCN(c2ccccc2F)CC1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C20H22FN3O/c21-17-3-1-2-4-19(17)24-11-9-23(10-12-24)14-20(25)16-5-6-18-15(13-16)7-8-22-18/h1-8,13,20,22,25H,9-12,14H2
InChIKeyFUFITQAINWGXKR-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.16
Rot. Bonds4

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

2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-5-yl)ethanol (PubChem CID 20866315) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-5-yl)ethanol.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-5-yl)ethanol
PubChem CID20866315
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-5-yl)ethanol
SMILESOC(CN1CCN(c2ccccc2F)CC1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C20H22FN3O/c21-17-3-1-2-4-19(17)24-11-9-23(10-12-24)14-20(25)16-5-6-18-15(13-16)7-8-22-18/h1-8,13,20,22,25H,9-12,14H2
InChIKeyFUFITQAINWGXKR-UHFFFAOYSA-N
XLogP3.16
TPSA42.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 7036660
1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
CID 50748235
1-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
CID 53180184
(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol
CID 919244
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-6-yl)ethanone
CID 5309171
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 2037410
(2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 28775333
1-[6-[(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 51872122
4-[1-hydroxy-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]benzene-1,2-diol
CID 176946490
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol
CID 64790373
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 113343915

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-5-yl)ethanol?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-5-yl)ethanol (CID 20866315) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-5-yl)ethanol.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-5-yl)ethanol?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-5-yl)ethanol is OC(CN1CCN(c2ccccc2F)CC1)c1ccc2[nH]ccc2c1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-5-yl)ethanol?
The InChIKey is FUFITQAINWGXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-17-3-1-2-4-19(17)24-11-9-23(10-12-24)14-20(25)16-5-6-18-15(13-16)7-8-22-18/h1-8,13,20,22,25H,9-12,14H2.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-5-yl)ethanol?
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-5-yl)ethanol has a molecular weight of 339.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-5-yl)ethanol is sourced from PubChem (CID 20866315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).