1-(2-dibenzofuran-4-yl-4-pyridinyl)-4-methylpiperazine

C22H21N3O — CID 25218280

IUPAC1-(2-dibenzofuran-4-yl-4-pyridinyl)-4-methylpiperazine
SMILESCN1CCN(c2ccnc(-c3cccc4c3oc3ccccc34)c2)CC1
InChIInChI=1S/C22H21N3O/c1-24-11-13-25(14-12-24)16-9-10-23-20(15-16)19-7-4-6-18-17-5-2-3-8-21(17)26-22(18)19/h2-10,15H,11-14H2,1H3
InChIKeyZDOAAGZEPDFKAJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.40
Rot. Bonds2

About 1-(2-dibenzofuran-4-yl-4-pyridinyl)-4-methylpiperazine

1-(2-dibenzofuran-4-yl-4-pyridinyl)-4-methylpiperazine (PubChem CID 25218280) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(2-dibenzofuran-4-yl-4-pyridinyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-dibenzofuran-4-yl-4-pyridinyl)-4-methylpiperazine
PubChem CID25218280
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name1-(2-dibenzofuran-4-yl-4-pyridinyl)-4-methylpiperazine
SMILESCN1CCN(c2ccnc(-c3cccc4c3oc3ccccc34)c2)CC1
InChIInChI=1S/C22H21N3O/c1-24-11-13-25(14-12-24)16-9-10-23-20(15-16)19-7-4-6-18-17-5-2-3-8-21(17)26-22(18)19/h2-10,15H,11-14H2,1H3
InChIKeyZDOAAGZEPDFKAJ-UHFFFAOYSA-N
XLogP4.40
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
1-[2-(2,3-dichlorophenyl)-4-pyridinyl]-4-methylpiperazine
CID 25218276
2-dibenzofuran-4-ylpyridine
CID 59500175
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
2-dibenzofuran-4-yl-4-[dideuterio(phenyl)methyl]pyridine
CID 162707858
2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine
CID 162707337
2-dibenzofuran-4-yl-4-octylpyridine
CID 171576908
4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene
CID 162500362
4-(2-adamantyl)-2-dibenzofuran-4-ylpyridine
CID 156655181
4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-dibenzofuran-4-ylpyridine
CID 177279356
5,15-di(dibenzofuran-4-yl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
CID 164528112
6-(4-methyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 90140756

Frequently Asked Questions

What is the IUPAC name of 1-(2-dibenzofuran-4-yl-4-pyridinyl)-4-methylpiperazine?
The IUPAC name of 1-(2-dibenzofuran-4-yl-4-pyridinyl)-4-methylpiperazine (CID 25218280) is 1-(2-dibenzofuran-4-yl-4-pyridinyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-dibenzofuran-4-yl-4-pyridinyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-dibenzofuran-4-yl-4-pyridinyl)-4-methylpiperazine is CN1CCN(c2ccnc(-c3cccc4c3oc3ccccc34)c2)CC1.
What is the InChIKey of 1-(2-dibenzofuran-4-yl-4-pyridinyl)-4-methylpiperazine?
The InChIKey is ZDOAAGZEPDFKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-24-11-13-25(14-12-24)16-9-10-23-20(15-16)19-7-4-6-18-17-5-2-3-8-21(17)26-22(18)19/h2-10,15H,11-14H2,1H3.
What are the key properties of 1-(2-dibenzofuran-4-yl-4-pyridinyl)-4-methylpiperazine?
1-(2-dibenzofuran-4-yl-4-pyridinyl)-4-methylpiperazine has a molecular weight of 343.43 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dibenzofuran-4-yl-4-pyridinyl)-4-methylpiperazine is sourced from PubChem (CID 25218280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).