1-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2,5-dimethylpiperazine

C17H28N2O3 — CID 120906034

IUPAC1-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2,5-dimethylpiperazine
SMILESCCOc1c(OC)cc(CN2CC(C)NCC2C)cc1OC
InChIInChI=1S/C17H28N2O3/c1-6-22-17-15(20-4)7-14(8-16(17)21-5)11-19-10-12(2)18-9-13(19)3/h7-8,12-13,18H,6,9-11H2,1-5H3
InChIKeyWXPMKHKBABYMSJ-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.28
Rot. Bonds6

About 1-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2,5-dimethylpiperazine

1-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2,5-dimethylpiperazine (PubChem CID 120906034) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2,5-dimethylpiperazine
PubChem CID120906034
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2,5-dimethylpiperazine
SMILESCCOc1c(OC)cc(CN2CC(C)NCC2C)cc1OC
InChIInChI=1S/C17H28N2O3/c1-6-22-17-15(20-4)7-14(8-16(17)21-5)11-19-10-12(2)18-9-13(19)3/h7-8,12-13,18H,6,9-11H2,1-5H3
InChIKeyWXPMKHKBABYMSJ-UHFFFAOYSA-N
XLogP2.28
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2,5-dimethylpiperazine?
The IUPAC name of 1-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2,5-dimethylpiperazine (CID 120906034) is 1-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2,5-dimethylpiperazine?
The canonical SMILES for 1-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2,5-dimethylpiperazine is CCOc1c(OC)cc(CN2CC(C)NCC2C)cc1OC.
What is the InChIKey of 1-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2,5-dimethylpiperazine?
The InChIKey is WXPMKHKBABYMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-6-22-17-15(20-4)7-14(8-16(17)21-5)11-19-10-12(2)18-9-13(19)3/h7-8,12-13,18H,6,9-11H2,1-5H3.
What are the key properties of 1-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2,5-dimethylpiperazine?
1-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2,5-dimethylpiperazine has a molecular weight of 308.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 120906034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).