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

C24H32N2O3 — CID 45192797

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

2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol (PubChem CID 45192797) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
• PubChem CID: 45192797
• Molecular Formula: C24H32N2O3
• Molecular Weight: 396.53 g/mol
• Exact Mass: 396.24
• IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
• SMILES: OCCC1CN(Cc2ccc3c(c2)OCCO3)CCN1CCCc1ccccc1
• InChI: InChI=1S/C24H32N2O3/c27-14-10-22-19-25(18-21-8-9-23-24(17-21)29-16-15-28-23)12-13-26(22)11-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-9,17,22,27H,4,7,10-16,18-19H2
• InChIKey: AIPZATLZPMRPKD-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 45.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.53
LogP ≤ 5	2.96
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-(3-phenylpropyl)piperazin-2-yl]ethanol?

The IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol (CID 45192797) is 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol.

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

The canonical SMILES for 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol is OCCC1CN(Cc2ccc3c(c2)OCCO3)CCN1CCCc1ccccc1.

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

The InChIKey is AIPZATLZPMRPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c27-14-10-22-19-25(18-21-8-9-23-24(17-21)29-16-15-28-23)12-13-26(22)11-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-9,17,22,27H,4,7,10-16,18-19H2.

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

2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol has a molecular weight of 396.53 g/mol, XLogP of 2.96, 8 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-(3-phenylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45192797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).