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

C20H21F2N3O — CID 92736475

IUPAC(1R)-1-(5-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
SMILESO[C@@H](CN1CCN(c2ccc(F)cc2)CC1)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C20H21F2N3O/c21-14-1-4-16(5-2-14)25-9-7-24(8-10-25)13-20(26)18-12-23-19-6-3-15(22)11-17(18)19/h1-6,11-12,20,23,26H,7-10,13H2/t20-/m0/s1
InChIKeyAHKWZAGHIGYNGD-FQEVSTJZSA-N
MW357.40 g/mol
LogP3.30
Rot. Bonds4

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

(1R)-1-(5-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol (PubChem CID 92736475) has the molecular formula C20H21F2N3O and a molecular weight of 357.40 g/mol. Its IUPAC name is (1R)-1-(5-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(5-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
PubChem CID92736475
Molecular FormulaC20H21F2N3O
Molecular Weight357.40 g/mol
Exact Mass357.17
IUPAC Name(1R)-1-(5-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
SMILESO[C@@H](CN1CCN(c2ccc(F)cc2)CC1)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C20H21F2N3O/c21-14-1-4-16(5-2-14)25-9-7-24(8-10-25)13-20(26)18-12-23-19-6-3-15(22)11-17(18)19/h1-6,11-12,20,23,26H,7-10,13H2/t20-/m0/s1
InChIKeyAHKWZAGHIGYNGD-FQEVSTJZSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol
CID 3806013
1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
CID 50748235
(1R)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanol
CID 92556048
(1S)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
CID 51586347
(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)propan-1-ol
CID 118499302
(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-(3-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 3668416
1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol
CID 3254372
3-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110883491

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol?
The IUPAC name of (1R)-1-(5-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol (CID 92736475) is (1R)-1-(5-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(5-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(5-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol is O[C@@H](CN1CCN(c2ccc(F)cc2)CC1)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of (1R)-1-(5-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol?
The InChIKey is AHKWZAGHIGYNGD-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21F2N3O/c21-14-1-4-16(5-2-14)25-9-7-24(8-10-25)13-20(26)18-12-23-19-6-3-15(22)11-17(18)19/h1-6,11-12,20,23,26H,7-10,13H2/t20-/m0/s1.
What are the key properties of (1R)-1-(5-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol?
(1R)-1-(5-fluoro-1H-indol-3-yl)-2-[4-(4-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 (1R)-1-(5-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 92736475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).