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

C17H22N2OS — CID 3042152

IUPAC2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol
SMILESCc1ccccc1N1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C17H22N2OS/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
InChIKeyNIWDVCQSZOMGKE-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.91
Rot. Bonds4

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

2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol (PubChem CID 3042152) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol
PubChem CID3042152
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol
SMILESCc1ccccc1N1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C17H22N2OS/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
InChIKeyNIWDVCQSZOMGKE-UHFFFAOYSA-N
XLogP2.91
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol (CID 3042152) is 2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol is Cc1ccccc1N1CCN(CC(O)c2cccs2)CC1.
What is the InChIKey of 2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol?
The InChIKey is NIWDVCQSZOMGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/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.
What are the key properties of 2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol?
2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol has a molecular weight of 302.44 g/mol, XLogP of 2.91, 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 is sourced from PubChem (CID 3042152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).