1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine

C15H24N2 — CID 84696121

IUPAC1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine
SMILESCCc1cc(CCN2CCNCC2)ccc1C
InChIInChI=1S/C15H24N2/c1-3-15-12-14(5-4-13(15)2)6-9-17-10-7-16-8-11-17/h4-5,12,16H,3,6-11H2,1-2H3
InChIKeyDLXKZXJCFUNGOY-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.01
Rot. Bonds4

About 1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine

1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine (PubChem CID 84696121) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine
PubChem CID84696121
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine
SMILESCCc1cc(CCN2CCNCC2)ccc1C
InChIInChI=1S/C15H24N2/c1-3-15-12-14(5-4-13(15)2)6-9-17-10-7-16-8-11-17/h4-5,12,16H,3,6-11H2,1-2H3
InChIKeyDLXKZXJCFUNGOY-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,4-dimethylphenyl)ethyl]-1,4-diazepane
CID 82289921
1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
CID 82264462
1,3-dimethyl-5-(2-piperazin-1-ylethyl)benzimidazol-2-one
CID 96680180
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
1-[3-(3-bromo-4-methylphenyl)propyl]piperazine
CID 82308190
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408
1-[2-(4-methylphenyl)ethyl]-1,4-diazepane
CID 82079414
1-[2-(2-ethyl-5-fluorophenyl)ethyl]piperazine
CID 84798240
2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole
CID 82500177
4-nonyl-2-(2-piperazin-1-ylethyl)phenol
CID 175375260
2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline
CID 117111789
1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82116765

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine (CID 84696121) is 1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine is CCc1cc(CCN2CCNCC2)ccc1C.
What is the InChIKey of 1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine?
The InChIKey is DLXKZXJCFUNGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-15-12-14(5-4-13(15)2)6-9-17-10-7-16-8-11-17/h4-5,12,16H,3,6-11H2,1-2H3.
What are the key properties of 1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine?
1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine has a molecular weight of 232.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine is sourced from PubChem (CID 84696121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).