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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Related Compounds

2-ethyl-2,5-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 79260901
1-[(2-bromophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine
CID 64845316
1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine
CID 64844873
1-benzyl-2,5-diethyl-2-methylpiperazine
CID 64841591
1-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine
CID 64845519
2-[(2-ethyl-2,5-dimethylpiperazin-1-yl)methyl]quinoline
CID 64846709
2-ethyl-1,2,5-trimethylpiperazine
CID 64844336
1-[(3,4-difluorophenyl)methyl]-2,5-diethyl-2-methylpiperazine
CID 82925269
2-ethyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine
CID 64840168
1-[(4-chlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
CID 64840421
2-ethyl-2,5-dimethyl-1-(2-phenoxyethyl)piperazine
CID 64845908
1-[(3,4-dichlorophenyl)methyl]-2-ethyl-2-methyl-5-propan-2-ylpiperazine
CID 64840035

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).