2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine

C18H30N2O — CID 64842179

IUPAC2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine
SMILESCCC1CN(Cc2ccc(OC)cc2)C(CC)(CC)CN1
InChIInChI=1S/C18H30N2O/c1-5-16-13-20(18(6-2,7-3)14-19-16)12-15-8-10-17(21-4)11-9-15/h8-11,16,19H,5-7,12-14H2,1-4H3
InChIKeyZHPLUZMHSFZKOR-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.44
Rot. Bonds6

About 2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine

2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine (PubChem CID 64842179) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine
PubChem CID64842179
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine
SMILESCCC1CN(Cc2ccc(OC)cc2)C(CC)(CC)CN1
InChIInChI=1S/C18H30N2O/c1-5-16-13-20(18(6-2,7-3)14-19-16)12-15-8-10-17(21-4)11-9-15/h8-11,16,19H,5-7,12-14H2,1-4H3
InChIKeyZHPLUZMHSFZKOR-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dimethylphenyl)methyl]-2,2,5-triethylpiperazine
CID 64843731
1-[(4-chloro-3-fluorophenyl)methyl]-2,2,5-triethylpiperazine
CID 107888547
2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64838813
1-[(5-chloro-2-fluorophenyl)methyl]-2,2,5-triethylpiperazine
CID 103050786
5-ethyl-1-[(4-methoxyphenyl)methyl]-2-propylpiperazine
CID 64842896
1-benzyl-2,5-diethyl-2-methylpiperazine
CID 64841591
1-[(3-bromo-4-methoxyphenyl)methyl]-2,5-diethyl-2-methylpiperazine
CID 64843336
2,2,5-triethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine
CID 114349580
1-[(5-bromo-2-pyridinyl)methyl]-2,2,5-triethylpiperazine
CID 104812451
1-[(2-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine
CID 64842373
5-cyclopropyl-2,2-diethyl-1-[(4-iodophenyl)methyl]piperazine
CID 65491369
5,5-diethyl-1-[(4-methoxyphenyl)methyl]-2,2-dimethylpiperazine
CID 64861033

Frequently Asked Questions

What is the IUPAC name of 2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine?
The IUPAC name of 2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine (CID 64842179) is 2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine is CCC1CN(Cc2ccc(OC)cc2)C(CC)(CC)CN1.
What is the InChIKey of 2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine?
The InChIKey is ZHPLUZMHSFZKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-16-13-20(18(6-2,7-3)14-19-16)12-15-8-10-17(21-4)11-9-15/h8-11,16,19H,5-7,12-14H2,1-4H3.
What are the key properties of 2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine?
2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine has a molecular weight of 290.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 64842179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).