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

C16H26N2O2 — CID 64979644

IUPAC1-[1-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpiperazine
SMILESCOc1ccc(C(C)N2CC(C)NCC2C)cc1OC
InChIInChI=1S/C16H26N2O2/c1-11-10-18(12(2)9-17-11)13(3)14-6-7-15(19-4)16(8-14)20-5/h6-8,11-13,17H,9-10H2,1-5H3
InChIKeyKAWRJZUADIRMNX-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.45
Rot. Bonds4

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

1-[1-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpiperazine (PubChem CID 64979644) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpiperazine
PubChem CID64979644
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[1-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpiperazine
SMILESCOc1ccc(C(C)N2CC(C)NCC2C)cc1OC
InChIInChI=1S/C16H26N2O2/c1-11-10-18(12(2)9-17-11)13(3)14-6-7-15(19-4)16(8-14)20-5/h6-8,11-13,17H,9-10H2,1-5H3
InChIKeyKAWRJZUADIRMNX-UHFFFAOYSA-N
XLogP2.45
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,5-dimethylpiperazine
CID 64979578
1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine
CID 64979677
2,5-dimethyl-1-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazine
CID 64978991
1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2,5-dimethylpiperazine
CID 64979618
1-[1-(3,4-dimethoxyphenyl)ethyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678044
1-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79376854
1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 28798624
[1-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine
CID 103440659
(4aS,7aS)-6-[1-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678911
6-[1-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678537
2-(3,4-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanol
CID 83978276
1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 115299885

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpiperazine?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpiperazine (CID 64979644) is 1-[1-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpiperazine?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpiperazine is COc1ccc(C(C)N2CC(C)NCC2C)cc1OC.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpiperazine?
The InChIKey is KAWRJZUADIRMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-10-18(12(2)9-17-11)13(3)14-6-7-15(19-4)16(8-14)20-5/h6-8,11-13,17H,9-10H2,1-5H3.
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpiperazine?
1-[1-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpiperazine has a molecular weight of 278.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 64979644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).