2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol

C23H30N2O3 — CID 45206531

About 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol

2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 45206531) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
• PubChem CID: 45206531
• Molecular Formula: C23H30N2O3
• Molecular Weight: 382.50 g/mol
• Exact Mass: 382.23
• IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
• SMILES: Cc1ccccc1CN1CCN(Cc2ccc3c(c2)OCCO3)CC1CCO
• InChI: InChI=1S/C23H30N2O3/c1-18-4-2-3-5-20(18)16-25-10-9-24(17-21(25)8-11-26)15-19-6-7-22-23(14-19)28-13-12-27-22/h2-7,14,21,26H,8-13,15-17H2,1H3
• InChIKey: AAWCAHDAUPAGLA-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 45.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.50
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?

The IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol (CID 45206531) is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol.

What is the SMILES notation for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?

The canonical SMILES for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol is Cc1ccccc1CN1CCN(Cc2ccc3c(c2)OCCO3)CC1CCO.

What is the InChIKey of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?

The InChIKey is AAWCAHDAUPAGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-18-4-2-3-5-20(18)16-25-10-9-24(17-21(25)8-11-26)15-19-6-7-22-23(14-19)28-13-12-27-22/h2-7,14,21,26H,8-13,15-17H2,1H3.

What are the key properties of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?

2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 382.50 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45206531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).