1-(2,4-dimethylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine

C17H28N2 — CID 64930665

IUPAC1-(2,4-dimethylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCc1ccc(N2CC(C)(C)NCC2C(C)C)c(C)c1
InChIInChI=1S/C17H28N2/c1-12(2)16-10-18-17(5,6)11-19(16)15-8-7-13(3)9-14(15)4/h7-9,12,16,18H,10-11H2,1-6H3
InChIKeyOQAQGAJBNRADFH-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.52
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine

1-(2,4-dimethylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine (PubChem CID 64930665) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
PubChem CID64930665
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(2,4-dimethylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCc1ccc(N2CC(C)(C)NCC2C(C)C)c(C)c1
InChIInChI=1S/C17H28N2/c1-12(2)16-10-18-17(5,6)11-19(16)15-8-7-13(3)9-14(15)4/h7-9,12,16,18H,10-11H2,1-6H3
InChIKeyOQAQGAJBNRADFH-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(2,4-dimethylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine (CID 64930665) is 1-(2,4-dimethylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine is Cc1ccc(N2CC(C)(C)NCC2C(C)C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The InChIKey is OQAQGAJBNRADFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12(2)16-10-18-17(5,6)11-19(16)15-8-7-13(3)9-14(15)4/h7-9,12,16,18H,10-11H2,1-6H3.
What are the key properties of 1-(2,4-dimethylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
1-(2,4-dimethylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine has a molecular weight of 260.43 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64930665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).