1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-fluorophenyl)piperazine

C19H20F2N2O2 — CID 17482114

IUPAC1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-fluorophenyl)piperazine
SMILESFc1ccc(N2CCN(Cc3cc(F)cc4c3OCOC4)CC2)cc1
InChIInChI=1S/C19H20F2N2O2/c20-16-1-3-18(4-2-16)23-7-5-22(6-8-23)11-14-9-17(21)10-15-12-24-13-25-19(14)15/h1-4,9-10H,5-8,11-13H2
InChIKeyRZWHRAMCZOWMER-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.15
Rot. Bonds3

About 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-fluorophenyl)piperazine

1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-fluorophenyl)piperazine (PubChem CID 17482114) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-fluorophenyl)piperazine
PubChem CID17482114
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-fluorophenyl)piperazine
SMILESFc1ccc(N2CCN(Cc3cc(F)cc4c3OCOC4)CC2)cc1
InChIInChI=1S/C19H20F2N2O2/c20-16-1-3-18(4-2-16)23-7-5-22(6-8-23)11-14-9-17(21)10-15-12-24-13-25-19(14)15/h1-4,9-10H,5-8,11-13H2
InChIKeyRZWHRAMCZOWMER-UHFFFAOYSA-N
XLogP3.15
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 111165703
1-[4-[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]phenyl]ethanone
CID 8591474
1-(4-methoxyphenyl)-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine
CID 17494381
4-(4-chlorophenyl)-N'-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]piperazine-1-carboximidamide
CID 111069990
[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 37375804
N-cyclopropyl-2-[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]acetamide
CID 34901048
N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
CID 119115719
(6-fluoro-4H-1,3-benzodioxin-8-yl)methanol
CID 2779909
(5R)-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1-(2-methoxyphenyl)-5-methyl-1,4-diazepane
CID 100715861
7-[[4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 112798970
N-ethyl-N'-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961978
N-benzyl-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide
CID 47012415

Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-fluorophenyl)piperazine (CID 17482114) is 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-fluorophenyl)piperazine is Fc1ccc(N2CCN(Cc3cc(F)cc4c3OCOC4)CC2)cc1.
What is the InChIKey of 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-fluorophenyl)piperazine?
The InChIKey is RZWHRAMCZOWMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-16-1-3-18(4-2-16)23-7-5-22(6-8-23)11-14-9-17(21)10-15-12-24-13-25-19(14)15/h1-4,9-10H,5-8,11-13H2.
What are the key properties of 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-fluorophenyl)piperazine?
1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-fluorophenyl)piperazine has a molecular weight of 346.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 17482114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).