1-[1-benzothiophen-2-yl-(2,4-dimethoxyphenyl)methyl]piperazine

C21H24N2O2S — CID 3815031

IUPAC1-[1-benzothiophen-2-yl-(2,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2cc3ccccc3s2)N2CCNCC2)c(OC)c1
InChIInChI=1S/C21H24N2O2S/c1-24-16-7-8-17(18(14-16)25-2)21(23-11-9-22-10-12-23)20-13-15-5-3-4-6-19(15)26-20/h3-8,13-14,21-22H,9-12H2,1-2H3
InChIKeyFFPAPRPTKRMVES-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.91
Rot. Bonds5

About 1-[1-benzothiophen-2-yl-(2,4-dimethoxyphenyl)methyl]piperazine

1-[1-benzothiophen-2-yl-(2,4-dimethoxyphenyl)methyl]piperazine (PubChem CID 3815031) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-[1-benzothiophen-2-yl-(2,4-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[1-benzothiophen-2-yl-(2,4-dimethoxyphenyl)methyl]piperazine
PubChem CID3815031
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name1-[1-benzothiophen-2-yl-(2,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2cc3ccccc3s2)N2CCNCC2)c(OC)c1
InChIInChI=1S/C21H24N2O2S/c1-24-16-7-8-17(18(14-16)25-2)21(23-11-9-22-10-12-23)20-13-15-5-3-4-6-19(15)26-20/h3-8,13-14,21-22H,9-12H2,1-2H3
InChIKeyFFPAPRPTKRMVES-UHFFFAOYSA-N
XLogP3.91
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-benzothiophen-2-yl-(2-methoxyphenyl)methyl]piperazine
CID 3469669
1-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]piperazine
CID 3835011
1-[1-benzothiophen-2-yl-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3815507
2-[chloro-(2,4-dimethoxyphenyl)methyl]-1-benzothiophene
CID 63433711
1-[(2-bromophenyl)-(2,4-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3490266
1-[(2,4-dimethoxyphenyl)-(2-fluorophenyl)methyl]-1,4-diazepane
CID 5106734
1-[(2,3-dichlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperazine
CID 3600926
1-[1-benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]piperazine
CID 3742114
1-[(2,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3321312
1-[(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171282621
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937
1-[(R)-(2,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171287396

Frequently Asked Questions

What is the IUPAC name of 1-[1-benzothiophen-2-yl-(2,4-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[1-benzothiophen-2-yl-(2,4-dimethoxyphenyl)methyl]piperazine (CID 3815031) is 1-[1-benzothiophen-2-yl-(2,4-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[1-benzothiophen-2-yl-(2,4-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[1-benzothiophen-2-yl-(2,4-dimethoxyphenyl)methyl]piperazine is COc1ccc(C(c2cc3ccccc3s2)N2CCNCC2)c(OC)c1.
What is the InChIKey of 1-[1-benzothiophen-2-yl-(2,4-dimethoxyphenyl)methyl]piperazine?
The InChIKey is FFPAPRPTKRMVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-24-16-7-8-17(18(14-16)25-2)21(23-11-9-22-10-12-23)20-13-15-5-3-4-6-19(15)26-20/h3-8,13-14,21-22H,9-12H2,1-2H3.
What are the key properties of 1-[1-benzothiophen-2-yl-(2,4-dimethoxyphenyl)methyl]piperazine?
1-[1-benzothiophen-2-yl-(2,4-dimethoxyphenyl)methyl]piperazine has a molecular weight of 368.50 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzothiophen-2-yl-(2,4-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3815031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).