2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol;hydrochloride

C17H23ClN2OS — CID 3042151

IUPAC2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol;hydrochloride
SMILESCc1ccccc1N1CCN(CC(O)c2cccs2)CC1.Cl
InChIInChI=1S/C17H22N2OS.ClH/c1-14-5-2-3-6-15(14)19-10-8-18(9-11-19)13-16(20)17-7-4-12-21-17;/h2-7,12,16,20H,8-11,13H2,1H3;1H
InChIKeyLVEMRLZSPKZBMP-UHFFFAOYSA-N
MW338.90 g/mol
LogP3.33
Rot. Bonds4

About 2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol;hydrochloride

2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol;hydrochloride (PubChem CID 3042151) has the molecular formula C17H23ClN2OS and a molecular weight of 338.90 g/mol. Its IUPAC name is 2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol;hydrochloride
PubChem CID3042151
Molecular FormulaC17H23ClN2OS
Molecular Weight338.90 g/mol
Exact Mass338.12
IUPAC Name2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol;hydrochloride
SMILESCc1ccccc1N1CCN(CC(O)c2cccs2)CC1.Cl
InChIInChI=1S/C17H22N2OS.ClH/c1-14-5-2-3-6-15(14)19-10-8-18(9-11-19)13-16(20)17-7-4-12-21-17;/h2-7,12,16,20H,8-11,13H2,1H3;1H
InChIKeyLVEMRLZSPKZBMP-UHFFFAOYSA-N
XLogP3.33
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.90
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10712619
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CID 10854403
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CID 125125751
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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol;hydrochloride?
The IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol;hydrochloride (CID 3042151) is 2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol;hydrochloride.
What is the SMILES notation for 2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol;hydrochloride?
The canonical SMILES for 2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol;hydrochloride is Cc1ccccc1N1CCN(CC(O)c2cccs2)CC1.Cl.
What is the InChIKey of 2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol;hydrochloride?
The InChIKey is LVEMRLZSPKZBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS.ClH/c1-14-5-2-3-6-15(14)19-10-8-18(9-11-19)13-16(20)17-7-4-12-21-17;/h2-7,12,16,20H,8-11,13H2,1H3;1H.
What are the key properties of 2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol;hydrochloride?
2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol;hydrochloride has a molecular weight of 338.90 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol;hydrochloride is sourced from PubChem (CID 3042151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).