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

C19H24N2 — CID 123373563

IUPAC1-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine
SMILESCc1cc(-c2ccccc2)ccc1CN1CCN(C)CC1
InChIInChI=1S/C19H24N2/c1-16-14-18(17-6-4-3-5-7-17)8-9-19(16)15-21-12-10-20(2)11-13-21/h3-9,14H,10-13,15H2,1-2H3
InChIKeyIJGTZXPNDWNNPD-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.41
Rot. Bonds3

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

1-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine (PubChem CID 123373563) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine
PubChem CID123373563
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name1-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine
SMILESCc1cc(-c2ccccc2)ccc1CN1CCN(C)CC1
InChIInChI=1S/C19H24N2/c1-16-14-18(17-6-4-3-5-7-17)8-9-19(16)15-21-12-10-20(2)11-13-21/h3-9,14H,10-13,15H2,1-2H3
InChIKeyIJGTZXPNDWNNPD-UHFFFAOYSA-N
XLogP3.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine (CID 123373563) is 1-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine is Cc1cc(-c2ccccc2)ccc1CN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine?
The InChIKey is IJGTZXPNDWNNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-16-14-18(17-6-4-3-5-7-17)8-9-19(16)15-21-12-10-20(2)11-13-21/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 1-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine?
1-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine has a molecular weight of 280.42 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine is sourced from PubChem (CID 123373563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).