5-ethyl-1-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpiperazine

C14H30N2O — CID 64931976

IUPAC5-ethyl-1-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(C(C)COC)C(C(C)C)CN1
InChIInChI=1S/C14H30N2O/c1-7-14(5)10-16(12(4)9-17-6)13(8-15-14)11(2)3/h11-13,15H,7-10H2,1-6H3
InChIKeyXJSQJHUWTKAUQL-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds5

About 5-ethyl-1-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpiperazine

5-ethyl-1-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64931976) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 5-ethyl-1-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpiperazine
PubChem CID64931976
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name5-ethyl-1-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(C(C)COC)C(C(C)C)CN1
InChIInChI=1S/C14H30N2O/c1-7-14(5)10-16(12(4)9-17-6)13(8-15-14)11(2)3/h11-13,15H,7-10H2,1-6H3
InChIKeyXJSQJHUWTKAUQL-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-(4-methoxybutan-2-yl)-5-methyl-2-propan-2-ylpiperazine
CID 64939357
5-ethyl-5-methyl-1-pentan-3-yl-2-propan-2-ylpiperazine
CID 64931235
5-ethyl-5-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylpiperazine
CID 64933642
5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine
CID 64947304
5-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2,5-dimethylpiperazine
CID 65053153
5-ethyl-5-methyl-1-octan-4-yl-2-propan-2-ylpiperazine
CID 106027142
1-[1-(4-chlorophenyl)ethyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64946846
5-ethyl-5-methyl-1-(2-methyl-1-thiophen-2-ylpropyl)-2-propan-2-ylpiperazine
CID 64947262
5-ethyl-1-(1-methoxypentan-2-yl)-2,5-dimethylpiperazine
CID 64939340
1-(5-chloro-2-methoxyphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64935637
5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine
CID 82947083
5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008842

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-1-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpiperazine (CID 64931976) is 5-ethyl-1-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-1-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-1-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpiperazine is CCC1(C)CN(C(C)COC)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-1-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is XJSQJHUWTKAUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-7-14(5)10-16(12(4)9-17-6)13(8-15-14)11(2)3/h11-13,15H,7-10H2,1-6H3.
What are the key properties of 5-ethyl-1-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpiperazine?
5-ethyl-1-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64931976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).