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

C21H23ClN2OS — CID 15289967

IUPAC[4-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol
SMILESOCc1cc2c(N3CCN(CCc4ccc(Cl)cc4)CC3)cccc2s1
InChIInChI=1S/C21H23ClN2OS/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
InChIKeyVSCWPERRERSRPR-UHFFFAOYSA-N
MW386.95 g/mol
LogP4.41
Rot. Bonds5

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

[4-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol (PubChem CID 15289967) has the molecular formula C21H23ClN2OS and a molecular weight of 386.95 g/mol. Its IUPAC name is [4-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol
PubChem CID15289967
Molecular FormulaC21H23ClN2OS
Molecular Weight386.95 g/mol
Exact Mass386.12
IUPAC Name[4-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol
SMILESOCc1cc2c(N3CCN(CCc4ccc(Cl)cc4)CC3)cccc2s1
InChIInChI=1S/C21H23ClN2OS/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
InChIKeyVSCWPERRERSRPR-UHFFFAOYSA-N
XLogP4.41
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 54.41
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-chlorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol?
The IUPAC name of [4-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol (CID 15289967) is [4-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol.
What is the SMILES notation for [4-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol?
The canonical SMILES for [4-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol is OCc1cc2c(N3CCN(CCc4ccc(Cl)cc4)CC3)cccc2s1.
What is the InChIKey of [4-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol?
The InChIKey is VSCWPERRERSRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2OS/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-chlorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol?
[4-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol has a molecular weight of 386.95 g/mol, XLogP of 4.41, 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-chlorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol is sourced from PubChem (CID 15289967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).