1-(3-methoxy-1-benzothiophen-4-yl)piperazine

C13H16N2OS — CID 141457575

IUPAC1-(3-methoxy-1-benzothiophen-4-yl)piperazine
SMILESCOc1csc2cccc(N3CCNCC3)c12
InChIInChI=1S/C13H16N2OS/c1-16-11-9-17-12-4-2-3-10(13(11)12)15-7-5-14-6-8-15/h2-4,9,14H,5-8H2,1H3
InChIKeyHSAMWLAUOWVMIO-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.32
Rot. Bonds2

About 1-(3-methoxy-1-benzothiophen-4-yl)piperazine

1-(3-methoxy-1-benzothiophen-4-yl)piperazine (PubChem CID 141457575) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(3-methoxy-1-benzothiophen-4-yl)piperazine.

Molecular Properties

Compound Name1-(3-methoxy-1-benzothiophen-4-yl)piperazine
PubChem CID141457575
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-(3-methoxy-1-benzothiophen-4-yl)piperazine
SMILESCOc1csc2cccc(N3CCNCC3)c12
InChIInChI=1S/C13H16N2OS/c1-16-11-9-17-12-4-2-3-10(13(11)12)15-7-5-14-6-8-15/h2-4,9,14H,5-8H2,1H3
InChIKeyHSAMWLAUOWVMIO-UHFFFAOYSA-N
XLogP2.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-piperazin-1-yl-1,2-benzothiazole
CID 15169803
1-(2-ethyl-3-methoxyphenyl)piperazine
CID 143239355
acetaldehyde;1-(2-methoxyphenyl)piperazine
CID 157082158
1-(1-benzothiophen-3-yl)piperazine;hydrochloride
CID 57425075
1-(1-benzothiophen-4-yl)piperazine;methane
CID 161016318
1-(2-methoxy-4-methylphenyl)piperazine
CID 10488507
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
1-[2-(2-methoxy-4-methylphenyl)sulfanylphenyl]piperazine
CID 53238123
1-(4,5-dimethoxy-2-methylphenyl)piperazine
CID 82476463
1-(4-iodo-2-methoxyphenyl)piperazine
CID 134534497
6,7-dimethoxy-4-(4-piperazin-1-ylindazol-1-yl)cinnoline
CID 24748431
1-(3-fluoro-2,4-dimethoxyphenyl)piperazine
CID 84800502

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-1-benzothiophen-4-yl)piperazine?
The IUPAC name of 1-(3-methoxy-1-benzothiophen-4-yl)piperazine (CID 141457575) is 1-(3-methoxy-1-benzothiophen-4-yl)piperazine.
What is the SMILES notation for 1-(3-methoxy-1-benzothiophen-4-yl)piperazine?
The canonical SMILES for 1-(3-methoxy-1-benzothiophen-4-yl)piperazine is COc1csc2cccc(N3CCNCC3)c12.
What is the InChIKey of 1-(3-methoxy-1-benzothiophen-4-yl)piperazine?
The InChIKey is HSAMWLAUOWVMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-16-11-9-17-12-4-2-3-10(13(11)12)15-7-5-14-6-8-15/h2-4,9,14H,5-8H2,1H3.
What are the key properties of 1-(3-methoxy-1-benzothiophen-4-yl)piperazine?
1-(3-methoxy-1-benzothiophen-4-yl)piperazine has a molecular weight of 248.35 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-1-benzothiophen-4-yl)piperazine is sourced from PubChem (CID 141457575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).