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

C17H28N2O2 — CID 64840494

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-2,2,5,5-tetramethylpiperazine
SMILESCOc1ccc(CN2CC(C)(C)NCC2(C)C)cc1OC
InChIInChI=1S/C17H28N2O2/c1-16(2)12-19(17(3,4)11-18-16)10-13-7-8-14(20-5)15(9-13)21-6/h7-9,18H,10-12H2,1-6H3
InChIKeyWKORSDDODXEIQI-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.67
Rot. Bonds4

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

1-[(3,4-dimethoxyphenyl)methyl]-2,2,5,5-tetramethylpiperazine (PubChem CID 64840494) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-2,2,5,5-tetramethylpiperazine.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-2,2,5,5-tetramethylpiperazine
PubChem CID64840494
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-2,2,5,5-tetramethylpiperazine
SMILESCOc1ccc(CN2CC(C)(C)NCC2(C)C)cc1OC
InChIInChI=1S/C17H28N2O2/c1-16(2)12-19(17(3,4)11-18-16)10-13-7-8-14(20-5)15(9-13)21-6/h7-9,18H,10-12H2,1-6H3
InChIKeyWKORSDDODXEIQI-UHFFFAOYSA-N
XLogP2.67
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-[(3-fluoro-4-methoxyphenyl)methyl]-2,5,5-trimethylpiperazine
CID 64843626
2,2,5,5-tetramethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 64839135
1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine
CID 65463120
1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-3-methyl-1,4-diazepane
CID 64871718
4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione
CID 63789962
5-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-2,2,5-trimethylpiperazine
CID 64876930
1-[(5-bromo-3-pyridinyl)methyl]-2,2,5,5-tetramethylpiperazine
CID 104812423
1-[(3-chloro-4-methoxyphenyl)methyl]-3,3-dimethylpiperazine
CID 82305327
1-[(3,4-dimethoxyphenyl)methyl]-4-methylpiperidin-4-amine
CID 82122424
[1-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781185
N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
CID 135938406
1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine
CID 103041811

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-2,2,5,5-tetramethylpiperazine?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-2,2,5,5-tetramethylpiperazine (CID 64840494) is 1-[(3,4-dimethoxyphenyl)methyl]-2,2,5,5-tetramethylpiperazine.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-2,2,5,5-tetramethylpiperazine?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-2,2,5,5-tetramethylpiperazine is COc1ccc(CN2CC(C)(C)NCC2(C)C)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-2,2,5,5-tetramethylpiperazine?
The InChIKey is WKORSDDODXEIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-16(2)12-19(17(3,4)11-18-16)10-13-7-8-14(20-5)15(9-13)21-6/h7-9,18H,10-12H2,1-6H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-2,2,5,5-tetramethylpiperazine?
1-[(3,4-dimethoxyphenyl)methyl]-2,2,5,5-tetramethylpiperazine has a molecular weight of 292.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-2,2,5,5-tetramethylpiperazine is sourced from PubChem (CID 64840494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).