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

C15H22N2OS — CID 79221064

IUPAC2-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CC2CSc3ccccc32)CC1
InChIInChI=1S/C15H22N2OS/c18-10-9-16-5-7-17(8-6-16)11-13-12-19-15-4-2-1-3-14(13)15/h1-4,13,18H,5-12H2
InChIKeyIRAXLVVIILWNGS-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.49
Rot. Bonds4

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

2-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol (PubChem CID 79221064) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol
PubChem CID79221064
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CC2CSc3ccccc32)CC1
InChIInChI=1S/C15H22N2OS/c18-10-9-16-5-7-17(8-6-16)11-13-12-19-15-4-2-1-3-14(13)15/h1-4,13,18H,5-12H2
InChIKeyIRAXLVVIILWNGS-UHFFFAOYSA-N
XLogP1.49
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromoethyl)-4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1,4-diazepane
CID 80666638
1-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 79318724
(3R)-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-3-ol
CID 79221764
4-tert-butyl-1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidine
CID 79314899
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methoxypiperidine
CID 79319858
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
CID 124511720
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidine-4-carboximidamide
CID 79221106
3-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-4-yl]propanoic acid
CID 79215688
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-amine
CID 79220739
2-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]butanenitrile
CID 79206585
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylsulfanylazepane
CID 114237826
4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazine-2,6-dione
CID 79314912

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol (CID 79221064) is 2-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol is OCCN1CCN(CC2CSc3ccccc32)CC1.
What is the InChIKey of 2-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol?
The InChIKey is IRAXLVVIILWNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c18-10-9-16-5-7-17(8-6-16)11-13-12-19-15-4-2-1-3-14(13)15/h1-4,13,18H,5-12H2.
What are the key properties of 2-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol?
2-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol has a molecular weight of 278.42 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 79221064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).