1-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridinyl)piperazine;hydrochloride

C21H28ClN3OS — CID 19081518

IUPAC1-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
SMILESCOc1cccnc1N1CCN(CCCC2CSc3ccccc32)CC1.Cl
InChIInChI=1S/C21H27N3OS.ClH/c1-25-19-8-4-10-22-21(19)24-14-12-23(13-15-24)11-5-6-17-16-26-20-9-3-2-7-18(17)20;/h2-4,7-10,17H,5-6,11-16H2,1H3;1H
InChIKeyOUEIGQFKMHQGPJ-UHFFFAOYSA-N
MW406.00 g/mol
LogP4.30
Rot. Bonds6

About 1-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridinyl)piperazine;hydrochloride

1-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridinyl)piperazine;hydrochloride (PubChem CID 19081518) has the molecular formula C21H28ClN3OS and a molecular weight of 406.00 g/mol. Its IUPAC name is 1-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridinyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
PubChem CID19081518
Molecular FormulaC21H28ClN3OS
Molecular Weight406.00 g/mol
Exact Mass405.16
IUPAC Name1-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
SMILESCOc1cccnc1N1CCN(CCCC2CSc3ccccc32)CC1.Cl
InChIInChI=1S/C21H27N3OS.ClH/c1-25-19-8-4-10-22-21(19)24-14-12-23(13-15-24)11-5-6-17-16-26-20-9-3-2-7-18(17)20;/h2-4,7-10,17H,5-6,11-16H2,1H3;1H
InChIKeyOUEIGQFKMHQGPJ-UHFFFAOYSA-N
XLogP4.30
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.00
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridinyl)piperazine;hydrochloride with MolForge

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Related Compounds

3-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)-3-methylpiperazine
CID 67651361
3-[2-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine
CID 67650966
2-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 59144993
2-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butoxy]quinolin-8-ol
CID 72546880
3-methoxy-2-(4-methylpiperidin-1-yl)pyridine
CID 155975394
1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine
CID 171335865
3-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
CID 67650077
1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-naphthalen-2-ylpiperazine;dihydrochloride
CID 11591218
5-methoxy-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-1,2-benzothiazin-4-one
CID 57218486
2-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol
CID 79221064
1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 176933932
3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403765

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridinyl)piperazine;hydrochloride?
The IUPAC name of 1-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridinyl)piperazine;hydrochloride (CID 19081518) is 1-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridinyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridinyl)piperazine;hydrochloride?
The canonical SMILES for 1-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridinyl)piperazine;hydrochloride is COc1cccnc1N1CCN(CCCC2CSc3ccccc32)CC1.Cl.
What is the InChIKey of 1-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridinyl)piperazine;hydrochloride?
The InChIKey is OUEIGQFKMHQGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS.ClH/c1-25-19-8-4-10-22-21(19)24-14-12-23(13-15-24)11-5-6-17-16-26-20-9-3-2-7-18(17)20;/h2-4,7-10,17H,5-6,11-16H2,1H3;1H.
What are the key properties of 1-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridinyl)piperazine;hydrochloride?
1-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridinyl)piperazine;hydrochloride has a molecular weight of 406.00 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridinyl)piperazine;hydrochloride is sourced from PubChem (CID 19081518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).