1-(4-methoxy-4-methylpentan-2-yl)-2,5-dimethylpiperazine

C13H28N2O — CID 64979655

IUPAC1-(4-methoxy-4-methylpentan-2-yl)-2,5-dimethylpiperazine
SMILESCOC(C)(C)CC(C)N1CC(C)NCC1C
InChIInChI=1S/C13H28N2O/c1-10-9-15(12(3)8-14-10)11(2)7-13(4,5)16-6/h10-12,14H,7-9H2,1-6H3
InChIKeyQCRBQICLAQHNDY-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.87
Rot. Bonds4

About 1-(4-methoxy-4-methylpentan-2-yl)-2,5-dimethylpiperazine

1-(4-methoxy-4-methylpentan-2-yl)-2,5-dimethylpiperazine (PubChem CID 64979655) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(4-methoxy-4-methylpentan-2-yl)-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(4-methoxy-4-methylpentan-2-yl)-2,5-dimethylpiperazine
PubChem CID64979655
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-(4-methoxy-4-methylpentan-2-yl)-2,5-dimethylpiperazine
SMILESCOC(C)(C)CC(C)N1CC(C)NCC1C
InChIInChI=1S/C13H28N2O/c1-10-9-15(12(3)8-14-10)11(2)7-13(4,5)16-6/h10-12,14H,7-9H2,1-6H3
InChIKeyQCRBQICLAQHNDY-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethoxypropan-2-yl)-2,5-dimethylpiperazine
CID 64938351
2,5-dimethyl-1-(6-methylheptan-2-yl)piperazine
CID 64938696
1-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-ylpiperazine
CID 104766282
5-tert-butyl-2-methyl-1-(4,4,4-trifluorobutan-2-yl)piperazine
CID 114129890
2,5-dimethyl-1-(2,3,3-trimethylbutyl)piperazine
CID 83147550
1-but-3-en-2-yl-2,5-dimethylpiperazine
CID 64980427
1-[1-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpiperazine
CID 64979644
1-(dicyclopropylmethyl)-2,5-dimethylpiperazine
CID 64937752
2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]propanoic acid
CID 146529570
1-(1-cyclopropylpropyl)-2,5-dimethylpiperazine
CID 64979574
1-(4-methoxybutan-2-yl)-5-methyl-2-phenylpiperazine
CID 64936696
1-[1-(4-ethoxyphenyl)ethyl]-2,5-dimethylpiperazine
CID 64979677

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-4-methylpentan-2-yl)-2,5-dimethylpiperazine?
The IUPAC name of 1-(4-methoxy-4-methylpentan-2-yl)-2,5-dimethylpiperazine (CID 64979655) is 1-(4-methoxy-4-methylpentan-2-yl)-2,5-dimethylpiperazine.
What is the SMILES notation for 1-(4-methoxy-4-methylpentan-2-yl)-2,5-dimethylpiperazine?
The canonical SMILES for 1-(4-methoxy-4-methylpentan-2-yl)-2,5-dimethylpiperazine is COC(C)(C)CC(C)N1CC(C)NCC1C.
What is the InChIKey of 1-(4-methoxy-4-methylpentan-2-yl)-2,5-dimethylpiperazine?
The InChIKey is QCRBQICLAQHNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10-9-15(12(3)8-14-10)11(2)7-13(4,5)16-6/h10-12,14H,7-9H2,1-6H3.
What are the key properties of 1-(4-methoxy-4-methylpentan-2-yl)-2,5-dimethylpiperazine?
1-(4-methoxy-4-methylpentan-2-yl)-2,5-dimethylpiperazine has a molecular weight of 228.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-4-methylpentan-2-yl)-2,5-dimethylpiperazine is sourced from PubChem (CID 64979655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).