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

C20H22FN3O — CID 919244

IUPAC(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol
SMILESO[C@@H](CN1CCN(c2ccccc2F)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H22FN3O/c21-17-6-2-4-8-19(17)24-11-9-23(10-12-24)14-20(25)16-13-22-18-7-3-1-5-15(16)18/h1-8,13,20,22,25H,9-12,14H2/t20-/m0/s1
InChIKeyGGNNCNOJBGJNHR-FQEVSTJZSA-N
MW339.41 g/mol
LogP3.16
Rot. Bonds4

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

(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol (PubChem CID 919244) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is (1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol
PubChem CID919244
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol
SMILESO[C@@H](CN1CCN(c2ccccc2F)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H22FN3O/c21-17-6-2-4-8-19(17)24-11-9-23(10-12-24)14-20(25)16-13-22-18-7-3-1-5-15(16)18/h1-8,13,20,22,25H,9-12,14H2/t20-/m0/s1
InChIKeyGGNNCNOJBGJNHR-FQEVSTJZSA-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

1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
CID 50748235
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol
CID 3806013
(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 2037410
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol
CID 46966093
(1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol
CID 2003978
(1S)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
CID 51586347
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
(1R)-1-(5-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 92736475
(1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
CID 51586351
1-[(2R)-2-hydroxy-2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 944689
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-5-yl)ethanol
CID 20866315
(2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 28775333

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol?
The IUPAC name of (1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol (CID 919244) is (1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol.
What is the SMILES notation for (1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol?
The canonical SMILES for (1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol is O[C@@H](CN1CCN(c2ccccc2F)CC1)c1c[nH]c2ccccc12.
What is the InChIKey of (1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol?
The InChIKey is GGNNCNOJBGJNHR-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-17-6-2-4-8-19(17)24-11-9-23(10-12-24)14-20(25)16-13-22-18-7-3-1-5-15(16)18/h1-8,13,20,22,25H,9-12,14H2/t20-/m0/s1.
What are the key properties of (1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol?
(1R)-2-[4-(2-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 (1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol is sourced from PubChem (CID 919244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).