1-(1-benzothiophen-7-yl)piperazine

C12H14N2S — CID 11988373

IUPAC1-(1-benzothiophen-7-yl)piperazine
SMILESc1cc(N2CCNCC2)c2sccc2c1
InChIInChI=1S/C12H14N2S/c1-2-10-4-9-15-12(10)11(3-1)14-7-5-13-6-8-14/h1-4,9,13H,5-8H2
InChIKeyKAIYEAVSYUNYRS-UHFFFAOYSA-N
MW218.33 g/mol
LogP2.31
Rot. Bonds1

About 1-(1-benzothiophen-7-yl)piperazine

1-(1-benzothiophen-7-yl)piperazine (PubChem CID 11988373) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)piperazine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)piperazine
PubChem CID11988373
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name1-(1-benzothiophen-7-yl)piperazine
SMILESc1cc(N2CCNCC2)c2sccc2c1
InChIInChI=1S/C12H14N2S/c1-2-10-4-9-15-12(10)11(3-1)14-7-5-13-6-8-14/h1-4,9,13H,5-8H2
InChIKeyKAIYEAVSYUNYRS-UHFFFAOYSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(Benzenesulfonyl)-1-benzothiophen-7-yl]piperazine
CID 10178788
N-(1-benzothiophen-5-yl)-N-benzylpiperidin-4-amine
CID 44467960
N3-phenylbenzo[b]thiophene-2,3-diamine
CID 86709236
1-(Benzo[b]thiophen-4-yl)piperazine
CID 21073187
1-(1-Benzothiophen-4-yl)piperazine hydrochloride
CID 57482541
7-(1-Aminopropan-2-ylamino)-1-benzothiophene-2-carboximidamide
CID 156013753
1-(1-Benzothiophen-3-yl)piperidine
CID 281089
N-(1-benzothiophen-3-yl)thiomorpholine-4-carboxamide
CID 2816298
1-(1-Benzothiophen-3-yl)-4-methylpiperazine
CID 11447613
3-[3-(aminomethyl)-1-benzothiophen-2-yl]-N,N-dimethylaniline
CID 46228260
1-(4-Acetylpiperazin-1-yl)-2-(1-benzothiophen-5-ylamino)ethanone
CID 56810624
N-ethyldibenzothiophen-2-amine
CID 168280163

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)piperazine?
The IUPAC name of 1-(1-benzothiophen-7-yl)piperazine (CID 11988373) is 1-(1-benzothiophen-7-yl)piperazine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)piperazine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)piperazine is c1cc(N2CCNCC2)c2sccc2c1.
What is the InChIKey of 1-(1-benzothiophen-7-yl)piperazine?
The InChIKey is KAIYEAVSYUNYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-2-10-4-9-15-12(10)11(3-1)14-7-5-13-6-8-14/h1-4,9,13H,5-8H2.
What are the key properties of 1-(1-benzothiophen-7-yl)piperazine?
1-(1-benzothiophen-7-yl)piperazine has a molecular weight of 218.33 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)piperazine is sourced from PubChem (CID 11988373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).