5-ethyl-1-[(4-ethylphenyl)methyl]-2,2,5-trimethylpiperazine

C18H30N2 — CID 64850036

IUPAC5-ethyl-1-[(4-ethylphenyl)methyl]-2,2,5-trimethylpiperazine
SMILESCCc1ccc(CN2CC(C)(CC)NCC2(C)C)cc1
InChIInChI=1S/C18H30N2/c1-6-15-8-10-16(11-9-15)12-20-14-18(5,7-2)19-13-17(20,3)4/h8-11,19H,6-7,12-14H2,1-5H3
InChIKeyMRRYGCDPFPYOMT-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.60
Rot. Bonds4

About 5-ethyl-1-[(4-ethylphenyl)methyl]-2,2,5-trimethylpiperazine

5-ethyl-1-[(4-ethylphenyl)methyl]-2,2,5-trimethylpiperazine (PubChem CID 64850036) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 5-ethyl-1-[(4-ethylphenyl)methyl]-2,2,5-trimethylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-[(4-ethylphenyl)methyl]-2,2,5-trimethylpiperazine
PubChem CID64850036
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name5-ethyl-1-[(4-ethylphenyl)methyl]-2,2,5-trimethylpiperazine
SMILESCCc1ccc(CN2CC(C)(CC)NCC2(C)C)cc1
InChIInChI=1S/C18H30N2/c1-6-15-8-10-16(11-9-15)12-20-14-18(5,7-2)19-13-17(20,3)4/h8-11,19H,6-7,12-14H2,1-5H3
InChIKeyMRRYGCDPFPYOMT-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(4-ethylphenyl)methyl]-2,2,5-trimethylpiperazine?
The IUPAC name of 5-ethyl-1-[(4-ethylphenyl)methyl]-2,2,5-trimethylpiperazine (CID 64850036) is 5-ethyl-1-[(4-ethylphenyl)methyl]-2,2,5-trimethylpiperazine.
What is the SMILES notation for 5-ethyl-1-[(4-ethylphenyl)methyl]-2,2,5-trimethylpiperazine?
The canonical SMILES for 5-ethyl-1-[(4-ethylphenyl)methyl]-2,2,5-trimethylpiperazine is CCc1ccc(CN2CC(C)(CC)NCC2(C)C)cc1.
What is the InChIKey of 5-ethyl-1-[(4-ethylphenyl)methyl]-2,2,5-trimethylpiperazine?
The InChIKey is MRRYGCDPFPYOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-6-15-8-10-16(11-9-15)12-20-14-18(5,7-2)19-13-17(20,3)4/h8-11,19H,6-7,12-14H2,1-5H3.
What are the key properties of 5-ethyl-1-[(4-ethylphenyl)methyl]-2,2,5-trimethylpiperazine?
5-ethyl-1-[(4-ethylphenyl)methyl]-2,2,5-trimethylpiperazine has a molecular weight of 274.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(4-ethylphenyl)methyl]-2,2,5-trimethylpiperazine is sourced from PubChem (CID 64850036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).