2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine

C14H19N3S — CID 91076986

IUPAC2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(c2cccc3sccc23)CC1
InChIInChI=1S/C14H19N3S/c15-5-6-16-7-9-17(10-8-16)13-2-1-3-14-12(13)4-11-18-14/h1-4,11H,5-10,15H2
InChIKeyXQMWZQOXAQDRSI-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.98
Rot. Bonds3

About 2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine

2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine (PubChem CID 91076986) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine
PubChem CID91076986
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(c2cccc3sccc23)CC1
InChIInChI=1S/C14H19N3S/c15-5-6-16-7-9-17(10-8-16)13-2-1-3-14-12(13)4-11-18-14/h1-4,11H,5-10,15H2
InChIKeyXQMWZQOXAQDRSI-UHFFFAOYSA-N
XLogP1.98
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-3,4-dihydro-1H-isoquinoline
CID 69468370
4-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]cyclohex-3-en-1-amine
CID 156734238
1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]azepan-2-one
CID 24880921
6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine
CID 138374893
4-[2-[4-(1-benzothiophen-4-yl)-1,4-diazepan-1-yl]ethyl]-4-fluorocyclohexan-1-amine
CID 165174499
1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one
CID 66884891
6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 138374857
1-(1-benzothiophen-4-yl)piperazine;methane
CID 161016318
2-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-2-azaspiro[4.4]nonan-1-one
CID 90793426
1-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propan-1-ol
CID 158026538
N-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-N-ethyl-2-sulfanylacetamide
CID 87693852
4-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]cyclohexane-1-carboxylic acid
CID 57499606

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine (CID 91076986) is 2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine is NCCN1CCN(c2cccc3sccc23)CC1.
What is the InChIKey of 2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine?
The InChIKey is XQMWZQOXAQDRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c15-5-6-16-7-9-17(10-8-16)13-2-1-3-14-12(13)4-11-18-14/h1-4,11H,5-10,15H2.
What are the key properties of 2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine?
2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine has a molecular weight of 261.39 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 91076986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).