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

C25H28N2 — CID 71602641

IUPAC1-(2,3-dimethylphenyl)-4-[(2-phenylphenyl)methyl]piperazine
SMILESCc1cccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)c1C
InChIInChI=1S/C25H28N2/c1-20-9-8-14-25(21(20)2)27-17-15-26(16-18-27)19-23-12-6-7-13-24(23)22-10-4-3-5-11-22/h3-14H,15-19H2,1-2H3
InChIKeyUSLDCNLFZCAKMC-UHFFFAOYSA-N
MW356.51 g/mol
LogP5.29
Rot. Bonds4

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

1-(2,3-dimethylphenyl)-4-[(2-phenylphenyl)methyl]piperazine (PubChem CID 71602641) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-[(2-phenylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-[(2-phenylphenyl)methyl]piperazine
PubChem CID71602641
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC Name1-(2,3-dimethylphenyl)-4-[(2-phenylphenyl)methyl]piperazine
SMILESCc1cccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)c1C
InChIInChI=1S/C25H28N2/c1-20-9-8-14-25(21(20)2)27-17-15-26(16-18-27)19-23-12-6-7-13-24(23)22-10-4-3-5-11-22/h3-14H,15-19H2,1-2H3
InChIKeyUSLDCNLFZCAKMC-UHFFFAOYSA-N
XLogP5.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-[(2-phenylphenyl)methyl]piperazine?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-[(2-phenylphenyl)methyl]piperazine (CID 71602641) is 1-(2,3-dimethylphenyl)-4-[(2-phenylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-[(2-phenylphenyl)methyl]piperazine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-[(2-phenylphenyl)methyl]piperazine is Cc1cccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-[(2-phenylphenyl)methyl]piperazine?
The InChIKey is USLDCNLFZCAKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2/c1-20-9-8-14-25(21(20)2)27-17-15-26(16-18-27)19-23-12-6-7-13-24(23)22-10-4-3-5-11-22/h3-14H,15-19H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-[(2-phenylphenyl)methyl]piperazine?
1-(2,3-dimethylphenyl)-4-[(2-phenylphenyl)methyl]piperazine has a molecular weight of 356.51 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-[(2-phenylphenyl)methyl]piperazine is sourced from PubChem (CID 71602641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).