1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine

C20H21F3N2O2 — CID 2845193

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)16-2-1-3-17(13-16)25-8-6-24(7-9-25)14-15-4-5-18-19(12-15)27-11-10-26-18/h1-5,12-13H,6-11,14H2
InChIKeyBWLSPMQJSCACLH-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.80
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine

1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 2845193) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID2845193
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)16-2-1-3-17(13-16)25-8-6-24(7-9-25)14-15-4-5-18-19(12-15)27-11-10-26-18/h1-5,12-13H,6-11,14H2
InChIKeyBWLSPMQJSCACLH-UHFFFAOYSA-N
XLogP3.80
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine (CID 2845193) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is BWLSPMQJSCACLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c21-20(22,23)16-2-1-3-17(13-16)25-8-6-24(7-9-25)14-15-4-5-18-19(12-15)27-11-10-26-18/h1-5,12-13H,6-11,14H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 378.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 2845193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).