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

C17H28N2O2 — CID 64941015

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1Cc1ccc(OC)cc1OC
InChIInChI=1S/C17H28N2O2/c1-6-14-10-18-17(2,3)12-19(14)11-13-7-8-15(20-4)9-16(13)21-5/h7-9,14,18H,6,10-12H2,1-5H3
InChIKeyACFGGOKURGMDOS-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.67
Rot. Bonds5

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

1-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5,5-dimethylpiperazine (PubChem CID 64941015) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
PubChem CID64941015
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1Cc1ccc(OC)cc1OC
InChIInChI=1S/C17H28N2O2/c1-6-14-10-18-17(2,3)12-19(14)11-13-7-8-15(20-4)9-16(13)21-5/h7-9,14,18H,6,10-12H2,1-5H3
InChIKeyACFGGOKURGMDOS-UHFFFAOYSA-N
XLogP2.67
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-[(2-ethylphenyl)methyl]-5,5-dimethylpiperazine
CID 64940709
1-[(2,4-dimethoxyphenyl)methyl]-3,3-dimethyl-1,4-diazepane
CID 64951779
2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64840265
3-cyclopropyl-1-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperazine
CID 64955002
1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64840451
1-[(2-bromo-5-methoxyphenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine
CID 65331384
2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine
CID 64837932
1-[2-(4-bromophenoxy)ethyl]-2-ethyl-5,5-dimethylpiperazine
CID 64840072
1-[(3-bromo-4-methoxyphenyl)methyl]-2,5-diethyl-5-methylpiperazine
CID 64848478
2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine
CID 82745822
2-[(2,5-diethylpiperazin-1-yl)methyl]-4-methoxyphenol
CID 64977910
1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64837944

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5,5-dimethylpiperazine?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5,5-dimethylpiperazine (CID 64941015) is 1-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5,5-dimethylpiperazine.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5,5-dimethylpiperazine?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5,5-dimethylpiperazine is CCC1CNC(C)(C)CN1Cc1ccc(OC)cc1OC.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5,5-dimethylpiperazine?
The InChIKey is ACFGGOKURGMDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-14-10-18-17(2,3)12-19(14)11-13-7-8-15(20-4)9-16(13)21-5/h7-9,14,18H,6,10-12H2,1-5H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5,5-dimethylpiperazine?
1-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5,5-dimethylpiperazine has a molecular weight of 292.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5,5-dimethylpiperazine is sourced from PubChem (CID 64941015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).