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

C20H26N2 — CID 22199601

IUPAC2-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CCN(c3ccc(C)cc3)C(C)C2)cc1
InChIInChI=1S/C20H26N2/c1-16-4-8-19(9-5-16)15-21-12-13-22(18(3)14-21)20-10-6-17(2)7-11-20/h4-11,18H,12-15H2,1-3H3
InChIKeyBMYGJRXEBUQLEV-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.01
Rot. Bonds3

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

2-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine (PubChem CID 22199601) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
PubChem CID22199601
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name2-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CCN(c3ccc(C)cc3)C(C)C2)cc1
InChIInChI=1S/C20H26N2/c1-16-4-8-19(9-5-16)15-21-12-13-22(18(3)14-21)20-10-6-17(2)7-11-20/h4-11,18H,12-15H2,1-3H3
InChIKeyBMYGJRXEBUQLEV-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine?
The IUPAC name of 2-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine (CID 22199601) is 2-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine is Cc1ccc(CN2CCN(c3ccc(C)cc3)C(C)C2)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine?
The InChIKey is BMYGJRXEBUQLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-16-4-8-19(9-5-16)15-21-12-13-22(18(3)14-21)20-10-6-17(2)7-11-20/h4-11,18H,12-15H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine?
2-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine has a molecular weight of 294.44 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine is sourced from PubChem (CID 22199601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).