1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine

C19H25N3O3 — CID 126783125

About 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine

1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine (PubChem CID 126783125) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine.

Molecular Properties

• Compound Name: 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine
• PubChem CID: 126783125
• Molecular Formula: C19H25N3O3
• Molecular Weight: 343.43 g/mol
• Exact Mass: 343.19
• IUPAC Name: 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine
• SMILES: COCC1CCN(Cc2cn[nH]c2-c2ccc3c(c2)OCCO3)CC1
• InChI: InChI=1S/C19H25N3O3/c1-23-13-14-4-6-22(7-5-14)12-16-11-20-21-19(16)15-2-3-17-18(10-15)25-9-8-24-17/h2-3,10-11,14H,4-9,12-13H2,1H3,(H,20,21)
• InChIKey: ZNDKMUVFGDXVGK-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 59.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.43
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine?

The IUPAC name of 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine (CID 126783125) is 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine.

What is the SMILES notation for 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine?

The canonical SMILES for 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine is COCC1CCN(Cc2cn[nH]c2-c2ccc3c(c2)OCCO3)CC1.

What is the InChIKey of 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine?

The InChIKey is ZNDKMUVFGDXVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-23-13-14-4-6-22(7-5-14)12-16-11-20-21-19(16)15-2-3-17-18(10-15)25-9-8-24-17/h2-3,10-11,14H,4-9,12-13H2,1H3,(H,20,21).

What are the key properties of 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine?

1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine has a molecular weight of 343.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine is sourced from PubChem (CID 126783125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).