1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazine

C24H24FN3O2 — CID 15410409

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazine
SMILESFc1ccc(-c2ccnc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1
InChIInChI=1S/C24H24FN3O2/c25-20-6-4-18(5-7-20)19-8-9-26-21(16-19)17-27-10-12-28(13-11-27)22-2-1-3-23-24(22)30-15-14-29-23/h1-9,16H,10-15,17H2
InChIKeyCXLIXZMTBHOAGP-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.98
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazine

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazine (PubChem CID 15410409) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazine
PubChem CID15410409
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazine
SMILESFc1ccc(-c2ccnc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1
InChIInChI=1S/C24H24FN3O2/c25-20-6-4-18(5-7-20)19-8-9-26-21(16-19)17-27-10-12-28(13-11-27)22-2-1-3-23-24(22)30-15-14-29-23/h1-9,16H,10-15,17H2
InChIKeyCXLIXZMTBHOAGP-UHFFFAOYSA-N
XLogP3.98
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazine (CID 15410409) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazine is Fc1ccc(-c2ccnc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazine?
The InChIKey is CXLIXZMTBHOAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-20-6-4-18(5-7-20)19-8-9-26-21(16-19)17-27-10-12-28(13-11-27)22-2-1-3-23-24(22)30-15-14-29-23/h1-9,16H,10-15,17H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazine?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazine has a molecular weight of 405.47 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]piperazine is sourced from PubChem (CID 15410409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).