1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine

C15H24N2 — CID 117337037

IUPAC1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
SMILESCc1cc(C)c(C)c(CCN2CCNCC2)c1
InChIInChI=1S/C15H24N2/c1-12-10-13(2)14(3)15(11-12)4-7-17-8-5-16-6-9-17/h10-11,16H,4-9H2,1-3H3
InChIKeyKWPUVBGIKSNWPR-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.06
Rot. Bonds3

About 1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine

1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine (PubChem CID 117337037) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
PubChem CID117337037
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
SMILESCc1cc(C)c(C)c(CCN2CCNCC2)c1
InChIInChI=1S/C15H24N2/c1-12-10-13(2)14(3)15(11-12)4-7-17-8-5-16-6-9-17/h10-11,16H,4-9H2,1-3H3
InChIKeyKWPUVBGIKSNWPR-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine
CID 84798248
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine
CID 117374191
1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
CID 117442959
2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 96679391
1-ethyl-5,7-dimethyl-3-(2-piperazin-1-ylethyl)indole
CID 83948952
1-[2-(5-methyl-2-methylsulfonylphenyl)ethyl]piperazine
CID 82264703
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
1-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
CID 82480406
2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol
CID 83896218
1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine
CID 117481369
1-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1,4-diazepane
CID 82485738

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine (CID 117337037) is 1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine is Cc1cc(C)c(C)c(CCN2CCNCC2)c1.
What is the InChIKey of 1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine?
The InChIKey is KWPUVBGIKSNWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-10-13(2)14(3)15(11-12)4-7-17-8-5-16-6-9-17/h10-11,16H,4-9H2,1-3H3.
What are the key properties of 1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine?
1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine has a molecular weight of 232.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine is sourced from PubChem (CID 117337037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).