1-(1-benzothiophen-4-yl)-2-methylpiperazine;dihydrochloride

C13H18Cl2N2S — CID 57482543

IUPAC1-(1-benzothiophen-4-yl)-2-methylpiperazine;dihydrochloride
SMILESCC1CNCCN1c1cccc2sccc12.Cl.Cl
InChIInChI=1S/C13H16N2S.2ClH/c1-10-9-14-6-7-15(10)12-3-2-4-13-11(12)5-8-16-13;;/h2-5,8,10,14H,6-7,9H2,1H3;2*1H
InChIKeyNAYVEPOUFWUJRF-UHFFFAOYSA-N
MW305.27 g/mol
LogP3.54
Rot. Bonds1

About 1-(1-benzothiophen-4-yl)-2-methylpiperazine;dihydrochloride

1-(1-benzothiophen-4-yl)-2-methylpiperazine;dihydrochloride (PubChem CID 57482543) has the molecular formula C13H18Cl2N2S and a molecular weight of 305.27 g/mol. Its IUPAC name is 1-(1-benzothiophen-4-yl)-2-methylpiperazine;dihydrochloride.

Molecular Properties

Compound Name1-(1-benzothiophen-4-yl)-2-methylpiperazine;dihydrochloride
PubChem CID57482543
Molecular FormulaC13H18Cl2N2S
Molecular Weight305.27 g/mol
Exact Mass304.06
IUPAC Name1-(1-benzothiophen-4-yl)-2-methylpiperazine;dihydrochloride
SMILESCC1CNCCN1c1cccc2sccc12.Cl.Cl
InChIInChI=1S/C13H16N2S.2ClH/c1-10-9-14-6-7-15(10)12-3-2-4-13-11(12)5-8-16-13;;/h2-5,8,10,14H,6-7,9H2,1H3;2*1H
InChIKeyNAYVEPOUFWUJRF-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-4-yl)-6-methyl-1,4-diazepane
CID 130343643
1-(1-benzothiophen-4-yl)piperazine;methane
CID 161016318
(2S)-1-(2-chloro-3-fluorophenyl)-2-methylpiperazine
CID 11514137
2-(2-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride
CID 71639519
6-[3-[1-(1-benzothiophen-4-yl)piperazin-2-yl]propoxy]-3-methyl-2,4-dihydro-1H-quinazoline;hydrochloride
CID 69120270
tert-butyl 4-(1-benzothiophen-4-yl)-3-methylpiperazine-1-carboxylate
CID 57482542
1-[2-fluoro-3-(2-fluorophenyl)phenyl]-2-methylpiperazine
CID 69396647
(2R)-1-(2,6-dichlorophenyl)-2-methylpiperazine
CID 11528873
4-[(2S)-2-methylpiperazin-1-yl]-8-(trifluoromethyl)quinoline
CID 167910941
1-(3-fluoro-2-nitrophenyl)-2-methylpiperazine
CID 62673540
2-(2-methylpiperazin-1-yl)benzamide
CID 22411270
(2R)-2-methyl-1-(2-nitrophenyl)piperazine
CID 54528666

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-4-yl)-2-methylpiperazine;dihydrochloride?
The IUPAC name of 1-(1-benzothiophen-4-yl)-2-methylpiperazine;dihydrochloride (CID 57482543) is 1-(1-benzothiophen-4-yl)-2-methylpiperazine;dihydrochloride.
What is the SMILES notation for 1-(1-benzothiophen-4-yl)-2-methylpiperazine;dihydrochloride?
The canonical SMILES for 1-(1-benzothiophen-4-yl)-2-methylpiperazine;dihydrochloride is CC1CNCCN1c1cccc2sccc12.Cl.Cl.
What is the InChIKey of 1-(1-benzothiophen-4-yl)-2-methylpiperazine;dihydrochloride?
The InChIKey is NAYVEPOUFWUJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S.2ClH/c1-10-9-14-6-7-15(10)12-3-2-4-13-11(12)5-8-16-13;;/h2-5,8,10,14H,6-7,9H2,1H3;2*1H.
What are the key properties of 1-(1-benzothiophen-4-yl)-2-methylpiperazine;dihydrochloride?
1-(1-benzothiophen-4-yl)-2-methylpiperazine;dihydrochloride has a molecular weight of 305.27 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-4-yl)-2-methylpiperazine;dihydrochloride is sourced from PubChem (CID 57482543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).