2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol

C15H20N2OS — CID 60705027

IUPAC2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2csc3ccccc23)CC1
InChIInChI=1S/C15H20N2OS/c18-10-9-16-5-7-17(8-6-16)11-13-12-19-15-4-2-1-3-14(13)15/h1-4,12,18H,5-11H2
InChIKeyNQTBNGFVLGNBEF-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.01
Rot. Bonds4

About 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol

2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol (PubChem CID 60705027) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol
PubChem CID60705027
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2csc3ccccc23)CC1
InChIInChI=1S/C15H20N2OS/c18-10-9-16-5-7-17(8-6-16)11-13-12-19-15-4-2-1-3-14(13)15/h1-4,12,18H,5-11H2
InChIKeyNQTBNGFVLGNBEF-UHFFFAOYSA-N
XLogP2.01
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol 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

2-[4-(1-benzothiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanol
CID 63738856
(2S)-3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]propane-1,2-diol
CID 30637791
1-(1-benzothiophen-3-ylmethyl)piperidine chloride
CID 53347465
2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-N-methylacetamide
CID 17434577
2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]butanenitrile
CID 63744844
(3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 119905365
2-[[2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 16596397
4-[4-(1-benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 39979475
4-(1-benzothiophen-3-ylmethyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 167808047
5-[4-(1-benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-2-methylisoindole-1,3-dione
CID 37273690
[4-(1-benzothiophen-3-ylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 138383820
1-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-2-ol;oxalic acid
CID 17499333

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol (CID 60705027) is 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol is OCCN1CCN(Cc2csc3ccccc23)CC1.
What is the InChIKey of 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol?
The InChIKey is NQTBNGFVLGNBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c18-10-9-16-5-7-17(8-6-16)11-13-12-19-15-4-2-1-3-14(13)15/h1-4,12,18H,5-11H2.
What are the key properties of 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol?
2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol has a molecular weight of 276.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 60705027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).