1-(5-methoxy-1-benzothiophen-2-yl)piperazine

C13H16N2OS — CID 82623074

IUPAC1-(5-methoxy-1-benzothiophen-2-yl)piperazine
SMILESCOc1ccc2sc(N3CCNCC3)cc2c1
InChIInChI=1S/C13H16N2OS/c1-16-11-2-3-12-10(8-11)9-13(17-12)15-6-4-14-5-7-15/h2-3,8-9,14H,4-7H2,1H3
InChIKeyMPTMLVYZXOTVBO-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.32
Rot. Bonds2

About 1-(5-methoxy-1-benzothiophen-2-yl)piperazine

1-(5-methoxy-1-benzothiophen-2-yl)piperazine (PubChem CID 82623074) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(5-methoxy-1-benzothiophen-2-yl)piperazine.

Molecular Properties

Compound Name1-(5-methoxy-1-benzothiophen-2-yl)piperazine
PubChem CID82623074
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-(5-methoxy-1-benzothiophen-2-yl)piperazine
SMILESCOc1ccc2sc(N3CCNCC3)cc2c1
InChIInChI=1S/C13H16N2OS/c1-16-11-2-3-12-10(8-11)9-13(17-12)15-6-4-14-5-7-15/h2-3,8-9,14H,4-7H2,1H3
InChIKeyMPTMLVYZXOTVBO-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

1-(5-tert-butyl-1-benzothiophen-2-yl)piperazine
CID 164933861
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205
2,5-dimethoxy-1-benzothiophene
CID 69101358
7-(5-methoxy-1-benzothiophen-2-yl)-1,4-oxazepane
CID 82666659
1-(2-chloro-5-methoxyphenyl)piperazine
CID 18663028
2-bromo-5-methoxy-1-benzothiophene
CID 74891301
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
1-(1-benzothiophen-2-yl)aziridine
CID 14339463
1-[1-benzothiophen-2-yl-(2,4-dimethoxyphenyl)methyl]piperazine
CID 3815031
1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone
CID 173297247
7-methoxy-3-methyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121237209
7-methoxy-1-piperazin-1-ylisoquinoline
CID 23155836

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1-benzothiophen-2-yl)piperazine?
The IUPAC name of 1-(5-methoxy-1-benzothiophen-2-yl)piperazine (CID 82623074) is 1-(5-methoxy-1-benzothiophen-2-yl)piperazine.
What is the SMILES notation for 1-(5-methoxy-1-benzothiophen-2-yl)piperazine?
The canonical SMILES for 1-(5-methoxy-1-benzothiophen-2-yl)piperazine is COc1ccc2sc(N3CCNCC3)cc2c1.
What is the InChIKey of 1-(5-methoxy-1-benzothiophen-2-yl)piperazine?
The InChIKey is MPTMLVYZXOTVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-16-11-2-3-12-10(8-11)9-13(17-12)15-6-4-14-5-7-15/h2-3,8-9,14H,4-7H2,1H3.
What are the key properties of 1-(5-methoxy-1-benzothiophen-2-yl)piperazine?
1-(5-methoxy-1-benzothiophen-2-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-(5-methoxy-1-benzothiophen-2-yl)piperazine is sourced from PubChem (CID 82623074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).