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

C20H22FN3O — CID 3806013

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol
SMILESOC(CN1CCN(c2ccc(F)cc2)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H22FN3O/c21-15-5-7-16(8-6-15)24-11-9-23(10-12-24)14-20(25)18-13-22-19-4-2-1-3-17(18)19/h1-8,13,20,22,25H,9-12,14H2
InChIKeyOERCCXODIUIHRC-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.16
Rot. Bonds4

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

2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol (PubChem CID 3806013) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol
PubChem CID3806013
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol
SMILESOC(CN1CCN(c2ccc(F)cc2)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H22FN3O/c21-15-5-7-16(8-6-15)24-11-9-23(10-12-24)14-20(25)18-13-22-19-4-2-1-3-17(18)19/h1-8,13,20,22,25H,9-12,14H2
InChIKeyOERCCXODIUIHRC-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

(1R)-1-(5-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 92736475
(1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol
CID 2003978
(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol
CID 919244
1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
CID 50748235
1-[(2R)-2-hydroxy-2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 944689
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 913234
(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
(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 2037410
(1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
CID 51586351
1-(2,2-diphenylethyl)-4-(4-fluorophenyl)piperazine
CID 1376189
1-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 3668416

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol (CID 3806013) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol is OC(CN1CCN(c2ccc(F)cc2)CC1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol?
The InChIKey is OERCCXODIUIHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-15-5-7-16(8-6-15)24-11-9-23(10-12-24)14-20(25)18-13-22-19-4-2-1-3-17(18)19/h1-8,13,20,22,25H,9-12,14H2.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol?
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-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-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol is sourced from PubChem (CID 3806013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).