2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol

C11H18N2OS — CID 82026679

IUPAC2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol
SMILESCN1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C11H18N2OS/c1-12-4-6-13(7-5-12)9-10(14)11-3-2-8-15-11/h2-3,8,10,14H,4-7,9H2,1H3
InChIKeyLXNAWKNDSUZAAM-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.03
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol

2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol (PubChem CID 82026679) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol
PubChem CID82026679
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol
SMILESCN1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C11H18N2OS/c1-12-4-6-13(7-5-12)9-10(14)11-3-2-8-15-11/h2-3,8,10,14H,4-7,9H2,1H3
InChIKeyLXNAWKNDSUZAAM-UHFFFAOYSA-N
XLogP1.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-1-yl-1-thiophen-2-ylethanol
CID 55212055
2-(4-ethylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 71783556
2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide
CID 97039057
2-(4-cyclopropylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 71783561
1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-2-propylpentan-1-one
CID 90603359
(E)-1-[4-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 94658848
[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 90603452
2-cyclopentyl-1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]ethanone
CID 94658858
4-hydroxy-1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 82123450
1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 94658873
1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 71782994
(2-bromophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone;hydrochloride
CID 71782979

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol (CID 82026679) is 2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol is CN1CCN(CC(O)c2cccs2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol?
The InChIKey is LXNAWKNDSUZAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-12-4-6-13(7-5-12)9-10(14)11-3-2-8-15-11/h2-3,8,10,14H,4-7,9H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol?
2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol has a molecular weight of 226.34 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol is sourced from PubChem (CID 82026679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).