1-(4-methoxy-2,2,4-trimethylpentyl)piperazine

C13H28N2O — CID 123880515

IUPAC1-(4-methoxy-2,2,4-trimethylpentyl)piperazine
SMILESCOC(C)(C)CC(C)(C)CN1CCNCC1
InChIInChI=1S/C13H28N2O/c1-12(2,10-13(3,4)16-5)11-15-8-6-14-7-9-15/h14H,6-11H2,1-5H3
InChIKeyYEGLLYOZXDZFTK-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds5

About 1-(4-methoxy-2,2,4-trimethylpentyl)piperazine

1-(4-methoxy-2,2,4-trimethylpentyl)piperazine (PubChem CID 123880515) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(4-methoxy-2,2,4-trimethylpentyl)piperazine.

Molecular Properties

Compound Name1-(4-methoxy-2,2,4-trimethylpentyl)piperazine
PubChem CID123880515
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-(4-methoxy-2,2,4-trimethylpentyl)piperazine
SMILESCOC(C)(C)CC(C)(C)CN1CCNCC1
InChIInChI=1S/C13H28N2O/c1-12(2,10-13(3,4)16-5)11-15-8-6-14-7-9-15/h14H,6-11H2,1-5H3
InChIKeyYEGLLYOZXDZFTK-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-5-piperazin-1-ylpentan-2-ol
CID 12052556
1-(3,3-Dimethylbutyl)-4-(4-methoxy-4-methylpentyl)piperazine
CID 89747721
1-(4,4-Dimethylpentyl)-4-(4-methoxy-4-methylpentyl)piperazine
CID 89747740
1-(4-Methoxy-4-methylpentyl)-4-propylpiperazine
CID 89750831
1-(4-Methoxy-2,2,4-trimethylpentyl)-1,4-diazepane
CID 123670940
1-(5-Methoxy-2,2,4,4-tetramethylpentyl)piperazine
CID 135183061
2,4,4-Trimethyl-5-piperazin-1-ylpentan-2-ol
CID 142390418
Ethane;1-(4-methoxy-2,2,4-trimethylpentyl)-4-methylpiperazine
CID 142409459
1-(3-Methoxy-2,2,3-trimethylbutyl)piperazine
CID 144147436
N'-(4-methoxy-2,2,4-trimethylpentyl)-N-methyl-N'-propylethane-1,2-diamine
CID 144147499
1-(4-Methoxy-2,4-dimethylpentan-2-yl)piperazine
CID 146180745
1-Iodo-4-(4-methoxy-2,2,4-trimethylpentyl)piperazine
CID 146274310

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,2,4-trimethylpentyl)piperazine?
The IUPAC name of 1-(4-methoxy-2,2,4-trimethylpentyl)piperazine (CID 123880515) is 1-(4-methoxy-2,2,4-trimethylpentyl)piperazine.
What is the SMILES notation for 1-(4-methoxy-2,2,4-trimethylpentyl)piperazine?
The canonical SMILES for 1-(4-methoxy-2,2,4-trimethylpentyl)piperazine is COC(C)(C)CC(C)(C)CN1CCNCC1.
What is the InChIKey of 1-(4-methoxy-2,2,4-trimethylpentyl)piperazine?
The InChIKey is YEGLLYOZXDZFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(2,10-13(3,4)16-5)11-15-8-6-14-7-9-15/h14H,6-11H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,2,4-trimethylpentyl)piperazine?
1-(4-methoxy-2,2,4-trimethylpentyl)piperazine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,2,4-trimethylpentyl)piperazine is sourced from PubChem (CID 123880515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).