1-[(3,5-dimethylphenyl)methyl]-2-ethyl-2,5-dimethylpiperazine

C17H28N2 — CID 64846903

IUPAC1-[(3,5-dimethylphenyl)methyl]-2-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CNC(C)CN1Cc1cc(C)cc(C)c1
InChIInChI=1S/C17H28N2/c1-6-17(5)12-18-15(4)10-19(17)11-16-8-13(2)7-14(3)9-16/h7-9,15,18H,6,10-12H2,1-5H3
InChIKeyTUJKLFMQGWDJGM-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.27
Rot. Bonds3

About 1-[(3,5-dimethylphenyl)methyl]-2-ethyl-2,5-dimethylpiperazine

1-[(3,5-dimethylphenyl)methyl]-2-ethyl-2,5-dimethylpiperazine (PubChem CID 64846903) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]-2-ethyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]-2-ethyl-2,5-dimethylpiperazine
PubChem CID64846903
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[(3,5-dimethylphenyl)methyl]-2-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CNC(C)CN1Cc1cc(C)cc(C)c1
InChIInChI=1S/C17H28N2/c1-6-17(5)12-18-15(4)10-19(17)11-16-8-13(2)7-14(3)9-16/h7-9,15,18H,6,10-12H2,1-5H3
InChIKeyTUJKLFMQGWDJGM-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-2-ethyl-2,5-dimethylpiperazine?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-2-ethyl-2,5-dimethylpiperazine (CID 64846903) is 1-[(3,5-dimethylphenyl)methyl]-2-ethyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]-2-ethyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]-2-ethyl-2,5-dimethylpiperazine is CCC1(C)CNC(C)CN1Cc1cc(C)cc(C)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]-2-ethyl-2,5-dimethylpiperazine?
The InChIKey is TUJKLFMQGWDJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-6-17(5)12-18-15(4)10-19(17)11-16-8-13(2)7-14(3)9-16/h7-9,15,18H,6,10-12H2,1-5H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]-2-ethyl-2,5-dimethylpiperazine?
1-[(3,5-dimethylphenyl)methyl]-2-ethyl-2,5-dimethylpiperazine has a molecular weight of 260.43 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]-2-ethyl-2,5-dimethylpiperazine is sourced from PubChem (CID 64846903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).