1-methyl-4-[2-(3-phenylphenyl)-4-pyridinyl]piperazine

C22H23N3 — CID 25218278

IUPAC1-methyl-4-[2-(3-phenylphenyl)-4-pyridinyl]piperazine
SMILESCN1CCN(c2ccnc(-c3cccc(-c4ccccc4)c3)c2)CC1
InChIInChI=1S/C22H23N3/c1-24-12-14-25(15-13-24)21-10-11-23-22(17-21)20-9-5-8-19(16-20)18-6-3-2-4-7-18/h2-11,16-17H,12-15H2,1H3
InChIKeyDIKFNWCLXSOMKB-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.17
Rot. Bonds3

About 1-methyl-4-[2-(3-phenylphenyl)-4-pyridinyl]piperazine

1-methyl-4-[2-(3-phenylphenyl)-4-pyridinyl]piperazine (PubChem CID 25218278) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-methyl-4-[2-(3-phenylphenyl)-4-pyridinyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-(3-phenylphenyl)-4-pyridinyl]piperazine
PubChem CID25218278
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC Name1-methyl-4-[2-(3-phenylphenyl)-4-pyridinyl]piperazine
SMILESCN1CCN(c2ccnc(-c3cccc(-c4ccccc4)c3)c2)CC1
InChIInChI=1S/C22H23N3/c1-24-12-14-25(15-13-24)21-10-11-23-22(17-21)20-9-5-8-19(16-20)18-6-3-2-4-7-18/h2-11,16-17H,12-15H2,1H3
InChIKeyDIKFNWCLXSOMKB-UHFFFAOYSA-N
XLogP4.17
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(3-phenylphenyl)-4-pyridinyl]piperazine?
The IUPAC name of 1-methyl-4-[2-(3-phenylphenyl)-4-pyridinyl]piperazine (CID 25218278) is 1-methyl-4-[2-(3-phenylphenyl)-4-pyridinyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-(3-phenylphenyl)-4-pyridinyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-(3-phenylphenyl)-4-pyridinyl]piperazine is CN1CCN(c2ccnc(-c3cccc(-c4ccccc4)c3)c2)CC1.
What is the InChIKey of 1-methyl-4-[2-(3-phenylphenyl)-4-pyridinyl]piperazine?
The InChIKey is DIKFNWCLXSOMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3/c1-24-12-14-25(15-13-24)21-10-11-23-22(17-21)20-9-5-8-19(16-20)18-6-3-2-4-7-18/h2-11,16-17H,12-15H2,1H3.
What are the key properties of 1-methyl-4-[2-(3-phenylphenyl)-4-pyridinyl]piperazine?
1-methyl-4-[2-(3-phenylphenyl)-4-pyridinyl]piperazine has a molecular weight of 329.45 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(3-phenylphenyl)-4-pyridinyl]piperazine is sourced from PubChem (CID 25218278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).