1-[3-[2-(4-fluorophenyl)-1,3-benzodioxol-2-yl]propyl]-4-phenylpiperazine

C26H27FN2O2 — CID 154133868

IUPAC1-[3-[2-(4-fluorophenyl)-1,3-benzodioxol-2-yl]propyl]-4-phenylpiperazine
SMILESFc1ccc(C2(CCCN3CCN(c4ccccc4)CC3)Oc3ccccc3O2)cc1
InChIInChI=1S/C26H27FN2O2/c27-22-13-11-21(12-14-22)26(30-24-9-4-5-10-25(24)31-26)15-6-16-28-17-19-29(20-18-28)23-7-2-1-3-8-23/h1-5,7-14H,6,15-20H2
InChIKeyZVGXIAIJQCDAHA-UHFFFAOYSA-N
MW418.51 g/mol
LogP5.05
Rot. Bonds6

About 1-[3-[2-(4-fluorophenyl)-1,3-benzodioxol-2-yl]propyl]-4-phenylpiperazine

1-[3-[2-(4-fluorophenyl)-1,3-benzodioxol-2-yl]propyl]-4-phenylpiperazine (PubChem CID 154133868) has the molecular formula C26H27FN2O2 and a molecular weight of 418.51 g/mol. Its IUPAC name is 1-[3-[2-(4-fluorophenyl)-1,3-benzodioxol-2-yl]propyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[3-[2-(4-fluorophenyl)-1,3-benzodioxol-2-yl]propyl]-4-phenylpiperazine
PubChem CID154133868
Molecular FormulaC26H27FN2O2
Molecular Weight418.51 g/mol
Exact Mass418.21
IUPAC Name1-[3-[2-(4-fluorophenyl)-1,3-benzodioxol-2-yl]propyl]-4-phenylpiperazine
SMILESFc1ccc(C2(CCCN3CCN(c4ccccc4)CC3)Oc3ccccc3O2)cc1
InChIInChI=1S/C26H27FN2O2/c27-22-13-11-21(12-14-22)26(30-24-9-4-5-10-25(24)31-26)15-6-16-28-17-19-29(20-18-28)23-7-2-1-3-8-23/h1-5,7-14H,6,15-20H2
InChIKeyZVGXIAIJQCDAHA-UHFFFAOYSA-N
XLogP5.05
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.51
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[2-(2,4-difluorophenyl)-4-methyl-1,3-dioxetan-2-yl]propyl]-4-phenylpiperazine
CID 54096102
1-(4-fluorophenyl)-4-[3-[4-(4-fluorophenyl)-1,3-dihydroisochromen-4-yl]propyl]piperazine;dihydrochloride
CID 19028870
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4H-1,4-benzoxazin-3-one
CID 14304624
1-(4-fluorophenyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]indole
CID 11407673
1-[3-[3-(4-fluorophenyl)-1-phenylpiperidin-3-yl]propyl]-4-phenylpiperidin-4-ol
CID 173319576
5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-dione
CID 86293406
4-(2-benzylphenyl)-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidine
CID 12804780
1-[3-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-phenylpiperazine
CID 25064222
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol
CID 54223521
4-fluoro-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-N-phenylbenzenesulfonamide
CID 53237216
5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine
CID 19982248

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-fluorophenyl)-1,3-benzodioxol-2-yl]propyl]-4-phenylpiperazine?
The IUPAC name of 1-[3-[2-(4-fluorophenyl)-1,3-benzodioxol-2-yl]propyl]-4-phenylpiperazine (CID 154133868) is 1-[3-[2-(4-fluorophenyl)-1,3-benzodioxol-2-yl]propyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[3-[2-(4-fluorophenyl)-1,3-benzodioxol-2-yl]propyl]-4-phenylpiperazine?
The canonical SMILES for 1-[3-[2-(4-fluorophenyl)-1,3-benzodioxol-2-yl]propyl]-4-phenylpiperazine is Fc1ccc(C2(CCCN3CCN(c4ccccc4)CC3)Oc3ccccc3O2)cc1.
What is the InChIKey of 1-[3-[2-(4-fluorophenyl)-1,3-benzodioxol-2-yl]propyl]-4-phenylpiperazine?
The InChIKey is ZVGXIAIJQCDAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O2/c27-22-13-11-21(12-14-22)26(30-24-9-4-5-10-25(24)31-26)15-6-16-28-17-19-29(20-18-28)23-7-2-1-3-8-23/h1-5,7-14H,6,15-20H2.
What are the key properties of 1-[3-[2-(4-fluorophenyl)-1,3-benzodioxol-2-yl]propyl]-4-phenylpiperazine?
1-[3-[2-(4-fluorophenyl)-1,3-benzodioxol-2-yl]propyl]-4-phenylpiperazine has a molecular weight of 418.51 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-fluorophenyl)-1,3-benzodioxol-2-yl]propyl]-4-phenylpiperazine is sourced from PubChem (CID 154133868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).