1-[4-(2-methyl-1-benzothiophen-5-yl)butyl]piperazine

C17H24N2S — CID 143693130

IUPAC1-[4-(2-methyl-1-benzothiophen-5-yl)butyl]piperazine
SMILESCc1cc2cc(CCCCN3CCNCC3)ccc2s1
InChIInChI=1S/C17H24N2S/c1-14-12-16-13-15(5-6-17(16)20-14)4-2-3-9-19-10-7-18-8-11-19/h5-6,12-13,18H,2-4,7-11H2,1H3
InChIKeyVKXYHLQAKIMXQI-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.44
Rot. Bonds5

About 1-[4-(2-methyl-1-benzothiophen-5-yl)butyl]piperazine

1-[4-(2-methyl-1-benzothiophen-5-yl)butyl]piperazine (PubChem CID 143693130) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-[4-(2-methyl-1-benzothiophen-5-yl)butyl]piperazine.

Molecular Properties

Compound Name1-[4-(2-methyl-1-benzothiophen-5-yl)butyl]piperazine
PubChem CID143693130
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-[4-(2-methyl-1-benzothiophen-5-yl)butyl]piperazine
SMILESCc1cc2cc(CCCCN3CCNCC3)ccc2s1
InChIInChI=1S/C17H24N2S/c1-14-12-16-13-15(5-6-17(16)20-14)4-2-3-9-19-10-7-18-8-11-19/h5-6,12-13,18H,2-4,7-11H2,1H3
InChIKeyVKXYHLQAKIMXQI-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-methyl-1-benzothiophen-5-yl)butyl]piperazine;trifluoromethyl hydrogen carbonate
CID 143693129
5-[2-(1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-benzothiazole
CID 98033974
1-[3-(3-bromo-4-methylphenyl)propyl]piperazine
CID 82308190
1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82116765
1-[4-(3-chlorophenyl)butyl]piperazine
CID 83924570
5-(2-piperazin-1-ylethyl)-1,3-benzothiazole
CID 82498602
1-[4-(3-methoxyphenyl)butyl]piperazine
CID 94267853
1-methyl-7-(2-piperazin-1-ylethyl)isoquinoline
CID 117391822
1-(8-phenyloctyl)-1,4,7,10-tetrazacyclododecane
CID 137439180
1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
CID 82264462
3-methyl-5-(3-piperazin-1-ylpropyl)-1H-indole
CID 116996532
1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine
CID 84696121

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-1-benzothiophen-5-yl)butyl]piperazine?
The IUPAC name of 1-[4-(2-methyl-1-benzothiophen-5-yl)butyl]piperazine (CID 143693130) is 1-[4-(2-methyl-1-benzothiophen-5-yl)butyl]piperazine.
What is the SMILES notation for 1-[4-(2-methyl-1-benzothiophen-5-yl)butyl]piperazine?
The canonical SMILES for 1-[4-(2-methyl-1-benzothiophen-5-yl)butyl]piperazine is Cc1cc2cc(CCCCN3CCNCC3)ccc2s1.
What is the InChIKey of 1-[4-(2-methyl-1-benzothiophen-5-yl)butyl]piperazine?
The InChIKey is VKXYHLQAKIMXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-14-12-16-13-15(5-6-17(16)20-14)4-2-3-9-19-10-7-18-8-11-19/h5-6,12-13,18H,2-4,7-11H2,1H3.
What are the key properties of 1-[4-(2-methyl-1-benzothiophen-5-yl)butyl]piperazine?
1-[4-(2-methyl-1-benzothiophen-5-yl)butyl]piperazine has a molecular weight of 288.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-1-benzothiophen-5-yl)butyl]piperazine is sourced from PubChem (CID 143693130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).