1-[1-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine

C16H26N2O — CID 66242439

IUPAC1-[1-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine
SMILESCOc1ccc(C(C)N2CC(C)(C)NCC2C)cc1
InChIInChI=1S/C16H26N2O/c1-12-10-17-16(3,4)11-18(12)13(2)14-6-8-15(19-5)9-7-14/h6-9,12-13,17H,10-11H2,1-5H3
InChIKeyFACNAYQKNZJULL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.83
Rot. Bonds3

About 1-[1-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine

1-[1-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine (PubChem CID 66242439) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine
PubChem CID66242439
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[1-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine
SMILESCOc1ccc(C(C)N2CC(C)(C)NCC2C)cc1
InChIInChI=1S/C16H26N2O/c1-12-10-17-16(3,4)11-18(12)13(2)14-6-8-15(19-5)9-7-14/h6-9,12-13,17H,10-11H2,1-5H3
InChIKeyFACNAYQKNZJULL-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine
CID 64948589
1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64932532
5,5-dimethyl-1-[1-(4-methylphenyl)ethyl]-2-propan-2-ylpiperazine
CID 64947844
1-[1-(4-chlorophenyl)ethyl]-2-ethyl-5,5-dimethylpiperazine
CID 64948195
5,5-diethyl-1-[1-(4-fluorophenyl)ethyl]-2-methylpiperazine
CID 64946647
[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 113284170
1-[1-(4-methoxyphenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione
CID 66243258
1-(4-methoxy-2-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64941938
2-[1-(4-methoxyphenyl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79918526
5-ethyl-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
CID 64930940
5-cyclopropyl-2-ethyl-1-[1-(4-methoxyphenyl)ethyl]piperazine
CID 66244508
1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316199

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine?
The IUPAC name of 1-[1-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine (CID 66242439) is 1-[1-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine?
The canonical SMILES for 1-[1-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine is COc1ccc(C(C)N2CC(C)(C)NCC2C)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine?
The InChIKey is FACNAYQKNZJULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-10-17-16(3,4)11-18(12)13(2)14-6-8-15(19-5)9-7-14/h6-9,12-13,17H,10-11H2,1-5H3.
What are the key properties of 1-[1-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine?
1-[1-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine has a molecular weight of 262.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine is sourced from PubChem (CID 66242439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).