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

C20H21F2N3O — CID 50748235

IUPAC1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
SMILESOC(CN1CCN(c2ccccc2F)CC1)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C20H21F2N3O/c21-14-5-6-18-15(11-14)16(12-23-18)20(26)13-24-7-9-25(10-8-24)19-4-2-1-3-17(19)22/h1-6,11-12,20,23,26H,7-10,13H2
InChIKeyFBWWIKUJQFYPSR-UHFFFAOYSA-N
MW357.40 g/mol
LogP3.30
Rot. Bonds4

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

1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol (PubChem CID 50748235) has the molecular formula C20H21F2N3O and a molecular weight of 357.40 g/mol. Its IUPAC name is 1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
PubChem CID50748235
Molecular FormulaC20H21F2N3O
Molecular Weight357.40 g/mol
Exact Mass357.17
IUPAC Name1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
SMILESOC(CN1CCN(c2ccccc2F)CC1)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C20H21F2N3O/c21-14-5-6-18-15(11-14)16(12-23-18)20(26)13-24-7-9-25(10-8-24)19-4-2-1-3-17(19)22/h1-6,11-12,20,23,26H,7-10,13H2
InChIKeyFBWWIKUJQFYPSR-UHFFFAOYSA-N
XLogP3.30
TPSA42.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol
CID 919244
(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 2037410
(1R)-1-(5-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 92736475
(1S)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
CID 51586347
(1R)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanol
CID 92556048
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol
CID 3806013
(1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
CID 51586351
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-5-yl)ethanol
CID 20866315
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
1-(5-fluoro-1H-indol-3-yl)propan-1-ol
CID 118499302
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol
CID 46966093
(1R)-1-(2,4-difluorophenyl)-2-[4-(2,6-difluorophenyl)piperazin-1-yl]ethanol
CID 166370843

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol (CID 50748235) is 1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol is OC(CN1CCN(c2ccccc2F)CC1)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol?
The InChIKey is FBWWIKUJQFYPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O/c21-14-5-6-18-15(11-14)16(12-23-18)20(26)13-24-7-9-25(10-8-24)19-4-2-1-3-17(19)22/h1-6,11-12,20,23,26H,7-10,13H2.
What are the key properties of 1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol?
1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol has a molecular weight of 357.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 50748235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).