1-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride

C20H23Cl2F3N2O3 — CID 171291474

About 1-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride

1-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride (PubChem CID 171291474) has the molecular formula C20H23Cl2F3N2O3 and a molecular weight of 467.32 g/mol. Its IUPAC name is 1-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride.

Molecular Properties

• Compound Name: 1-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
• PubChem CID: 171291474
• Molecular Formula: C20H23Cl2F3N2O3
• Molecular Weight: 467.32 g/mol
• Exact Mass: 466.10
• IUPAC Name: 1-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
• SMILES: Cl.Cl.FC(F)(F)Oc1ccc([C@H](c2ccc3c(c2)OCCO3)N2CCNCC2)cc1
• InChI: InChI=1S/C20H21F3N2O3.2ClH/c21-20(22,23)28-16-4-1-14(2-5-16)19(25-9-7-24-8-10-25)15-3-6-17-18(13-15)27-12-11-26-17;;/h1-6,13,19,24H,7-12H2;2*1H/t19-;;/m1../s1
• InChIKey: HKHTUZIJCPNNNX-JQDLGSOUSA-N
• XLogP: 4.19
• TPSA: 42.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.32
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?

The IUPAC name of 1-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride (CID 171291474) is 1-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride.

What is the SMILES notation for 1-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?

The canonical SMILES for 1-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride is Cl.Cl.FC(F)(F)Oc1ccc([C@H](c2ccc3c(c2)OCCO3)N2CCNCC2)cc1.

What is the InChIKey of 1-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?

The InChIKey is HKHTUZIJCPNNNX-JQDLGSOUSA-N. The full InChI is InChI=1S/C20H21F3N2O3.2ClH/c21-20(22,23)28-16-4-1-14(2-5-16)19(25-9-7-24-8-10-25)15-3-6-17-18(13-15)27-12-11-26-17;;/h1-6,13,19,24H,7-12H2;2*1H/t19-;;/m1../s1.

What are the key properties of 1-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?

1-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride has a molecular weight of 467.32 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171291474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).