2-[(2R)-1-[(2-methylphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-2-yl]ethanol

C20H28N2OS — CID 98586577

About 2-[(2R)-1-[(2-methylphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-2-yl]ethanol

2-[(2R)-1-[(2-methylphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 98586577) has the molecular formula C20H28N2OS and a molecular weight of 344.52 g/mol. Its IUPAC name is 2-[(2R)-1-[(2-methylphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-2-yl]ethanol
• PubChem CID: 98586577
• Molecular Formula: C20H28N2OS
• Molecular Weight: 344.52 g/mol
• Exact Mass: 344.19
• IUPAC Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-2-yl]ethanol
• SMILES: Cc1ccc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)s1
• InChI: InChI=1S/C20H28N2OS/c1-16-5-3-4-6-18(16)13-22-11-10-21(14-19(22)9-12-23)15-20-8-7-17(2)24-20/h3-8,19,23H,9-15H2,1-2H3/t19-/m1/s1
• InChIKey: RDEMOHPLIHIDJK-LJQANCHMSA-N
• XLogP: 3.43
• TPSA: 26.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.52
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(2-methylphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-2-yl]ethanol?

The IUPAC name of 2-[(2R)-1-[(2-methylphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-2-yl]ethanol (CID 98586577) is 2-[(2R)-1-[(2-methylphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-2-yl]ethanol.

What is the SMILES notation for 2-[(2R)-1-[(2-methylphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-2-yl]ethanol?

The canonical SMILES for 2-[(2R)-1-[(2-methylphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-2-yl]ethanol is Cc1ccc(CN2CCN(Cc3ccccc3C)[C@H](CCO)C2)s1.

What is the InChIKey of 2-[(2R)-1-[(2-methylphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-2-yl]ethanol?

The InChIKey is RDEMOHPLIHIDJK-LJQANCHMSA-N. The full InChI is InChI=1S/C20H28N2OS/c1-16-5-3-4-6-18(16)13-22-11-10-21(14-19(22)9-12-23)15-20-8-7-17(2)24-20/h3-8,19,23H,9-15H2,1-2H3/t19-/m1/s1.

What are the key properties of 2-[(2R)-1-[(2-methylphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-2-yl]ethanol?

2-[(2R)-1-[(2-methylphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 344.52 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-1-[(2-methylphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 98586577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).