3-[2-(1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride

C20H24ClN3OS — CID 67651694

IUPAC3-[2-(1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
SMILESCOc1cccnc1N1CCNC(CCc2csc3ccccc23)C1.Cl
InChIInChI=1S/C20H23N3OS.ClH/c1-24-18-6-4-10-22-20(18)23-12-11-21-16(13-23)9-8-15-14-25-19-7-3-2-5-17(15)19;/h2-7,10,14,16,21H,8-9,11-13H2,1H3;1H
InChIKeyGIWLLSZVKHIDAF-UHFFFAOYSA-N
MW389.95 g/mol
LogP4.14
Rot. Bonds5

About 3-[2-(1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride

3-[2-(1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride (PubChem CID 67651694) has the molecular formula C20H24ClN3OS and a molecular weight of 389.95 g/mol. Its IUPAC name is 3-[2-(1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride.

Molecular Properties

Compound Name3-[2-(1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
PubChem CID67651694
Molecular FormulaC20H24ClN3OS
Molecular Weight389.95 g/mol
Exact Mass389.13
IUPAC Name3-[2-(1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
SMILESCOc1cccnc1N1CCNC(CCc2csc3ccccc23)C1.Cl
InChIInChI=1S/C20H23N3OS.ClH/c1-24-18-6-4-10-22-20(18)23-12-11-21-16(13-23)9-8-15-14-25-19-7-3-2-5-17(15)19;/h2-7,10,14,16,21H,8-9,11-13H2,1H3;1H
InChIKeyGIWLLSZVKHIDAF-UHFFFAOYSA-N
XLogP4.14
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine
CID 67650966
3-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
CID 67650077
2-[3-(5-bromo-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
CID 67650689
1-(1-benzothiophen-3-ylmethyl)-3-propylpiperazine
CID 64832605
4-[2-[3-(1-benzothiophen-3-yl)propyl]piperazin-1-yl]-5-methoxypyrimidine
CID 67651689
4-[4-[3-(1-benzothiophen-3-yl)propyl]-2-methylpiperazin-1-yl]-5-methoxypyrimidine;hydrochloride
CID 19081475
1-(1-benzothiophen-3-ylmethyl)-3-propyl-1,4-diazepane
CID 64871472
2-(1-benzothiophen-3-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120733235
3-[(2-methoxyphenoxy)methyl]-1-benzothiophene
CID 117170894
3-methoxy-2-(4-methylpiperidin-1-yl)pyridine
CID 155975394
1-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
CID 19081518
3-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)-3-methylpiperazine
CID 67651361

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride?
The IUPAC name of 3-[2-(1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride (CID 67651694) is 3-[2-(1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride.
What is the SMILES notation for 3-[2-(1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride?
The canonical SMILES for 3-[2-(1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride is COc1cccnc1N1CCNC(CCc2csc3ccccc23)C1.Cl.
What is the InChIKey of 3-[2-(1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride?
The InChIKey is GIWLLSZVKHIDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS.ClH/c1-24-18-6-4-10-22-20(18)23-12-11-21-16(13-23)9-8-15-14-25-19-7-3-2-5-17(15)19;/h2-7,10,14,16,21H,8-9,11-13H2,1H3;1H.
What are the key properties of 3-[2-(1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride?
3-[2-(1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride is sourced from PubChem (CID 67651694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).