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

C21H24N2OS — CID 15289957

IUPAC[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol
SMILESOCc1cc2c(N3CCN(CCc4ccccc4)CC3)cccc2s1
InChIInChI=1S/C21H24N2OS/c24-16-18-15-19-20(7-4-8-21(19)25-18)23-13-11-22(12-14-23)10-9-17-5-2-1-3-6-17/h1-8,15,24H,9-14,16H2
InChIKeyPITXZRWRSAPKMX-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.76
Rot. Bonds5

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

[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol (PubChem CID 15289957) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is [4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol
PubChem CID15289957
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC Name[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol
SMILESOCc1cc2c(N3CCN(CCc4ccccc4)CC3)cccc2s1
InChIInChI=1S/C21H24N2OS/c24-16-18-15-19-20(7-4-8-21(19)25-18)23-13-11-22(12-14-23)10-9-17-5-2-1-3-6-17/h1-8,15,24H,9-14,16H2
InChIKeyPITXZRWRSAPKMX-UHFFFAOYSA-N
XLogP3.76
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzothiophen-2-yl-(4-dimethylaminophenyl)methanol
CID 237069
1-(Benzo[b]thiophen-3-yl)-3-(4-(benzo[b]thiophen-5-yl)piperazin-1-yl)propan-1-ol
CID 11732304
1-(Benzo[b]thiophen-3-yl)-3-(4-(naphthalen-1-yl)piperazin-1-yl)propan-1-ol
CID 11079928
1-(5-Fluoro-1-benzothiophen-3-yl)-3-(4-naphthalen-1-ylpiperazin-1-yl)propan-1-ol
CID 11091096
1-Benzo[b]thiophen-3-yl-3-[4-(1,2-dihydro-quinolin-2-yl)-piperazin-1-yl]-propan-1-ol
CID 44354158
[7-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-2-methylidene-3,4-dihydro-1H-quinolin-6-yl]methanol
CID 155803108
4-[4-[3-(1-Benzothiophen-3-yl)-3-hydroxypropyl]piperazin-1-yl]benzonitrile
CID 52952420
[4-[4-(3-Phenylpropyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol
CID 15289963
[4-[4-[2-(4-Chlorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol
CID 15289967
[2-(4-Dimethylaminophenyl)benzothiophen-3-yl]methanol
CID 457222
[4-[4-[2-(4-Fluorophenyl)ethyl]piperazin-1-yl]-1-benzothiophen-2-yl]methanol
CID 15289971
1-[2-(4-Fluorophenyl)ethyl]-4-[2-(methoxymethyl)-1-benzothiophen-4-yl]piperazine
CID 69782334

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol?
The IUPAC name of [4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol (CID 15289957) is [4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol.
What is the SMILES notation for [4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol?
The canonical SMILES for [4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol is OCc1cc2c(N3CCN(CCc4ccccc4)CC3)cccc2s1.
What is the InChIKey of [4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol?
The InChIKey is PITXZRWRSAPKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c24-16-18-15-19-20(7-4-8-21(19)25-18)23-13-11-22(12-14-23)10-9-17-5-2-1-3-6-17/h1-8,15,24H,9-14,16H2.
What are the key properties of [4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol?
[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol has a molecular weight of 352.50 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanol is sourced from PubChem (CID 15289957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).