2-[4-(2-methylpropyl)piperazin-1-yl]-2-(3-methylthiophen-2-yl)ethanol

C15H26N2OS — CID 112540093

IUPAC2-[4-(2-methylpropyl)piperazin-1-yl]-2-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccsc1C(CO)N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H26N2OS/c1-12(2)10-16-5-7-17(8-6-16)14(11-18)15-13(3)4-9-19-15/h4,9,12,14,18H,5-8,10-11H2,1-3H3
InChIKeyRKXOMRDPOFCODZ-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.36
Rot. Bonds5

About 2-[4-(2-methylpropyl)piperazin-1-yl]-2-(3-methylthiophen-2-yl)ethanol

2-[4-(2-methylpropyl)piperazin-1-yl]-2-(3-methylthiophen-2-yl)ethanol (PubChem CID 112540093) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)piperazin-1-yl]-2-(3-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)piperazin-1-yl]-2-(3-methylthiophen-2-yl)ethanol
PubChem CID112540093
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name2-[4-(2-methylpropyl)piperazin-1-yl]-2-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccsc1C(CO)N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H26N2OS/c1-12(2)10-16-5-7-17(8-6-16)14(11-18)15-13(3)4-9-19-15/h4,9,12,14,18H,5-8,10-11H2,1-3H3
InChIKeyRKXOMRDPOFCODZ-UHFFFAOYSA-N
XLogP2.36
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-methylpropyl)piperazin-1-yl]-2-(3-methylthiophen-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylthiophen-2-yl)-2-piperidin-1-ylethanol
CID 116860167
2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 112539542
3-methyl-2-(3-methylthiophen-2-yl)butan-1-ol
CID 116964294
2-(2-chloro-6-fluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 112539561
2-(4-cyclopropylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 61440431
1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride
CID 171276189
(2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol
CID 130738998
2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 62776010
4-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 62778177
2-[4-[1-(3-methylthiophen-2-yl)ethyl]piperazin-1-yl]propanoic acid
CID 65062707
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol
CID 62942981
1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine
CID 171308967

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)piperazin-1-yl]-2-(3-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-[4-(2-methylpropyl)piperazin-1-yl]-2-(3-methylthiophen-2-yl)ethanol (CID 112540093) is 2-[4-(2-methylpropyl)piperazin-1-yl]-2-(3-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-[4-(2-methylpropyl)piperazin-1-yl]-2-(3-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-[4-(2-methylpropyl)piperazin-1-yl]-2-(3-methylthiophen-2-yl)ethanol is Cc1ccsc1C(CO)N1CCN(CC(C)C)CC1.
What is the InChIKey of 2-[4-(2-methylpropyl)piperazin-1-yl]-2-(3-methylthiophen-2-yl)ethanol?
The InChIKey is RKXOMRDPOFCODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-12(2)10-16-5-7-17(8-6-16)14(11-18)15-13(3)4-9-19-15/h4,9,12,14,18H,5-8,10-11H2,1-3H3.
What are the key properties of 2-[4-(2-methylpropyl)piperazin-1-yl]-2-(3-methylthiophen-2-yl)ethanol?
2-[4-(2-methylpropyl)piperazin-1-yl]-2-(3-methylthiophen-2-yl)ethanol has a molecular weight of 282.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)piperazin-1-yl]-2-(3-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 112540093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).