[4-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol

C21H23FN2OS — CID 15289971

IUPAC[4-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol
SMILESOCc1cc2c(N3CCN(CCc4ccc(F)cc4)CC3)cccc2s1
InChIInChI=1S/C21H23FN2OS/c22-17-6-4-16(5-7-17)8-9-23-10-12-24(13-11-23)20-2-1-3-21-19(20)14-18(15-25)26-21/h1-7,14,25H,8-13,15H2
InChIKeyAOKQTZZSBQCDAS-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.90
Rot. Bonds5

About [4-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol

[4-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol (PubChem CID 15289971) has the molecular formula C21H23FN2OS and a molecular weight of 370.49 g/mol. Its IUPAC name is [4-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol
PubChem CID15289971
Molecular FormulaC21H23FN2OS
Molecular Weight370.49 g/mol
Exact Mass370.15
IUPAC Name[4-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol
SMILESOCc1cc2c(N3CCN(CCc4ccc(F)cc4)CC3)cccc2s1
InChIInChI=1S/C21H23FN2OS/c22-17-6-4-16(5-7-17)8-9-23-10-12-24(13-11-23)20-2-1-3-21-19(20)14-18(15-25)26-21/h1-7,14,25H,8-13,15H2
InChIKeyAOKQTZZSBQCDAS-UHFFFAOYSA-N
XLogP3.90
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol?
The IUPAC name of [4-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol (CID 15289971) is [4-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol.
What is the SMILES notation for [4-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol?
The canonical SMILES for [4-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol is OCc1cc2c(N3CCN(CCc4ccc(F)cc4)CC3)cccc2s1.
What is the InChIKey of [4-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol?
The InChIKey is AOKQTZZSBQCDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2OS/c22-17-6-4-16(5-7-17)8-9-23-10-12-24(13-11-23)20-2-1-3-21-19(20)14-18(15-25)26-21/h1-7,14,25H,8-13,15H2.
What are the key properties of [4-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol?
[4-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol has a molecular weight of 370.49 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol is sourced from PubChem (CID 15289971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).