1-(1-benzothiophen-3-yl)-2-piperazin-1-ylethanol;hydrochloride

C14H19ClN2OS — CID 67083410

IUPAC1-(1-benzothiophen-3-yl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCl.OC(CN1CCNCC1)c1csc2ccccc12
InChIInChI=1S/C14H18N2OS.ClH/c17-13(9-16-7-5-15-6-8-16)12-10-18-14-4-2-1-3-11(12)14;/h1-4,10,13,15,17H,5-9H2;1H
InChIKeyAWXFNNJXDBUKJT-UHFFFAOYSA-N
MW298.84 g/mol
LogP2.26
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-2-piperazin-1-ylethanol;hydrochloride

1-(1-benzothiophen-3-yl)-2-piperazin-1-ylethanol;hydrochloride (PubChem CID 67083410) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-piperazin-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-piperazin-1-ylethanol;hydrochloride
PubChem CID67083410
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name1-(1-benzothiophen-3-yl)-2-piperazin-1-ylethanol;hydrochloride
SMILESCl.OC(CN1CCNCC1)c1csc2ccccc12
InChIInChI=1S/C14H18N2OS.ClH/c17-13(9-16-7-5-15-6-8-16)12-10-18-14-4-2-1-3-11(12)14;/h1-4,10,13,15,17H,5-9H2;1H
InChIKeyAWXFNNJXDBUKJT-UHFFFAOYSA-N
XLogP2.26
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzothiophen-3-yl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanol
CID 44603504
1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171290220
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
1-[(1S)-1-(1-benzothiophen-3-yl)-2-fluoroethyl]piperazine
CID 171290219
2-(1-benzothiophen-3-yl)-3-methyl-4-piperazin-1-ylbut-1-en-1-one;hydrochloride
CID 87261853
1-[(1S)-1-(1-benzothiophen-3-yl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171277623
(3S)-3-(1-benzothiophen-3-yl)-3-hydroxypropanoic acid
CID 94550405
2-(1-benzothiophen-3-yl)-2-piperazin-1-ylacetic acid
CID 62699815
1-[(1R)-1-(1-benzothiophen-3-yl)-2,2-dimethylpropyl]piperazine
CID 171290243
(3R)-3-(1-benzothiophen-3-yl)-3-piperazin-1-ylpropanenitrile
CID 171306801
1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperazine
CID 3947459
1-(1-benzothiophen-3-yl)-3-sulfanylpropan-1-ol
CID 116831065

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-piperazin-1-ylethanol;hydrochloride?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-piperazin-1-ylethanol;hydrochloride (CID 67083410) is 1-(1-benzothiophen-3-yl)-2-piperazin-1-ylethanol;hydrochloride.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-piperazin-1-ylethanol;hydrochloride?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-piperazin-1-ylethanol;hydrochloride is Cl.OC(CN1CCNCC1)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-piperazin-1-ylethanol;hydrochloride?
The InChIKey is AWXFNNJXDBUKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS.ClH/c17-13(9-16-7-5-15-6-8-16)12-10-18-14-4-2-1-3-11(12)14;/h1-4,10,13,15,17H,5-9H2;1H.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-piperazin-1-ylethanol;hydrochloride?
1-(1-benzothiophen-3-yl)-2-piperazin-1-ylethanol;hydrochloride has a molecular weight of 298.84 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-piperazin-1-ylethanol;hydrochloride is sourced from PubChem (CID 67083410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).