5,5-diethyl-1-[(4-methoxyphenyl)methyl]-2,2-dimethylpiperazine

C18H30N2O — CID 64861033

IUPAC5,5-diethyl-1-[(4-methoxyphenyl)methyl]-2,2-dimethylpiperazine
SMILESCCC1(CC)CN(Cc2ccc(OC)cc2)C(C)(C)CN1
InChIInChI=1S/C18H30N2O/c1-6-18(7-2)14-20(17(3,4)13-19-18)12-15-8-10-16(21-5)11-9-15/h8-11,19H,6-7,12-14H2,1-5H3
InChIKeyAHOXMKWKJXPITI-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.44
Rot. Bonds5

About 5,5-diethyl-1-[(4-methoxyphenyl)methyl]-2,2-dimethylpiperazine

5,5-diethyl-1-[(4-methoxyphenyl)methyl]-2,2-dimethylpiperazine (PubChem CID 64861033) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 5,5-diethyl-1-[(4-methoxyphenyl)methyl]-2,2-dimethylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-1-[(4-methoxyphenyl)methyl]-2,2-dimethylpiperazine
PubChem CID64861033
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name5,5-diethyl-1-[(4-methoxyphenyl)methyl]-2,2-dimethylpiperazine
SMILESCCC1(CC)CN(Cc2ccc(OC)cc2)C(C)(C)CN1
InChIInChI=1S/C18H30N2O/c1-6-18(7-2)14-20(17(3,4)13-19-18)12-15-8-10-16(21-5)11-9-15/h8-11,19H,6-7,12-14H2,1-5H3
InChIKeyAHOXMKWKJXPITI-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

5,5-diethyl-1-[(4-ethylphenyl)methyl]-2,2-dimethylpiperazine
CID 64861798
1-[(3-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine
CID 64862571
5,5-diethyl-2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64861803
5-ethyl-1-[(4-ethylphenyl)methyl]-2,2,5-trimethylpiperazine
CID 64850036
5,5-diethyl-2,2-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine
CID 102879645
5,5-diethyl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64861609
1-[(3,4-dimethoxyphenyl)methyl]-2,2,5,5-tetramethylpiperazine
CID 64840494
5,5-diethyl-2,2-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 115982543
2-ethyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-propylpiperazine
CID 64838813
2-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine
CID 65443657
2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine
CID 64842179
1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine
CID 103041811

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-[(4-methoxyphenyl)methyl]-2,2-dimethylpiperazine?
The IUPAC name of 5,5-diethyl-1-[(4-methoxyphenyl)methyl]-2,2-dimethylpiperazine (CID 64861033) is 5,5-diethyl-1-[(4-methoxyphenyl)methyl]-2,2-dimethylpiperazine.
What is the SMILES notation for 5,5-diethyl-1-[(4-methoxyphenyl)methyl]-2,2-dimethylpiperazine?
The canonical SMILES for 5,5-diethyl-1-[(4-methoxyphenyl)methyl]-2,2-dimethylpiperazine is CCC1(CC)CN(Cc2ccc(OC)cc2)C(C)(C)CN1.
What is the InChIKey of 5,5-diethyl-1-[(4-methoxyphenyl)methyl]-2,2-dimethylpiperazine?
The InChIKey is AHOXMKWKJXPITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-18(7-2)14-20(17(3,4)13-19-18)12-15-8-10-16(21-5)11-9-15/h8-11,19H,6-7,12-14H2,1-5H3.
What are the key properties of 5,5-diethyl-1-[(4-methoxyphenyl)methyl]-2,2-dimethylpiperazine?
5,5-diethyl-1-[(4-methoxyphenyl)methyl]-2,2-dimethylpiperazine has a molecular weight of 290.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-[(4-methoxyphenyl)methyl]-2,2-dimethylpiperazine is sourced from PubChem (CID 64861033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).